 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer01_STD_wB97XD_def2SVPD.in
 Output=30_ibuprofen_conformer01_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-31088.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     31092.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer01_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer01_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.646549000000     -0.738131000000     -0.801564000000
  C                                                -1.432592000000     -0.511522000000      0.329783000000
  C                                                 0.680010000000     -0.338401000000     -0.847846000000
  C                                                 1.266867000000      0.302071000000      0.243935000000
  C                                                 0.492409000000      0.520436000000      1.377965000000
  C                                                -0.838534000000      0.122026000000      1.417910000000
  C                                                -2.882387000000     -0.913637000000      0.347539000000
  C                                                -3.797679000000      0.013396000000     -0.476375000000
  C                                                -3.787727000000      1.442814000000      0.061806000000
  C                                                -5.218015000000     -0.547768000000     -0.520760000000
  C                                                 2.713060000000      0.767110000000      0.191830000000
  C                                                 3.602939000000     -0.429270000000     -0.086386000000
  O                                                 3.981236000000     -0.787282000000     -1.171710000000
  O                                                 3.915201000000     -1.096316000000      1.047826000000
  H                                                -1.080077000000     -1.240686000000     -1.658424000000
  H                                                 1.270566000000     -0.537518000000     -1.733203000000
  H                                                 0.933056000000      1.005917000000      2.240389000000
  H                                                -1.424007000000      0.306057000000      2.310676000000
  H                                                -3.244624000000     -0.936082000000      1.379648000000
  H                                                -2.980608000000     -1.931165000000     -0.041430000000
  H                                                -3.406098000000      0.034214000000     -1.499523000000
  H                                                -4.163541000000      1.470389000000      1.088857000000
  H                                                -4.425556000000      2.090476000000     -0.542757000000
  H                                                -2.782177000000      1.864314000000      0.062741000000
  H                                                -5.646809000000     -0.595436000000      0.484188000000
  H                                                -5.235024000000     -1.556669000000     -0.938514000000
  H                                                -5.870883000000      0.080410000000     -1.129959000000
  H                                                 2.976513000000      1.139253000000      1.182625000000
  C                                                 2.933498000000      1.865447000000     -0.850054000000
  H                                                 4.436417000000     -1.871707000000      0.786177000000
  H                                                 2.278614000000      2.710285000000     -0.637065000000
  H                                                 2.713092000000      1.497500000000     -1.850637000000
  H                                                 3.967865000000      2.211791000000     -0.839432000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.646549   -0.738131   -0.801564
      2          6           0       -1.432592   -0.511522    0.329783
      3          6           0        0.680010   -0.338401   -0.847846
      4          6           0        1.266867    0.302071    0.243935
      5          6           0        0.492409    0.520436    1.377965
      6          6           0       -0.838534    0.122026    1.417910
      7          6           0       -2.882387   -0.913637    0.347539
      8          6           0       -3.797679    0.013396   -0.476375
      9          6           0       -3.787727    1.442814    0.061806
     10          6           0       -5.218015   -0.547768   -0.520760
     11          6           0        2.713060    0.767110    0.191830
     12          6           0        3.602939   -0.429270   -0.086386
     13          8           0        3.981236   -0.787282   -1.171710
     14          8           0        3.915201   -1.096316    1.047826
     15          1           0       -1.080077   -1.240686   -1.658424
     16          1           0        1.270566   -0.537518   -1.733203
     17          1           0        0.933056    1.005917    2.240389
     18          1           0       -1.424007    0.306057    2.310676
     19          1           0       -3.244624   -0.936082    1.379648
     20          1           0       -2.980608   -1.931165   -0.041430
     21          1           0       -3.406098    0.034214   -1.499523
     22          1           0       -4.163541    1.470389    1.088857
     23          1           0       -4.425556    2.090476   -0.542757
     24          1           0       -2.782177    1.864314    0.062741
     25          1           0       -5.646809   -0.595436    0.484188
     26          1           0       -5.235024   -1.556669   -0.938514
     27          1           0       -5.870883    0.080410   -1.129959
     28          1           0        2.976513    1.139253    1.182625
     29          6           0        2.933498    1.865447   -0.850054
     30          1           0        4.436417   -1.871707    0.786177
     31          1           0        2.278614    2.710285   -0.637065
     32          1           0        2.713092    1.497500   -1.850637
     33          1           0        3.967865    2.211791   -0.839432
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.396124   0.000000
     3  C    1.386248   2.424844   0.000000
     4  C    2.415833   2.820706   1.395203   0.000000
     5  C    2.762528   2.422654   2.393121   1.390501   0.000000
     6  C    2.388052   1.392231   2.766156   2.417302   1.389869
     7  C    2.519963   1.504632   3.801383   4.324926   3.808883
     8  C    3.255789   2.553246   4.506823   5.123652   4.701119
     9  C    3.920322   3.072117   4.894984   5.184919   4.571938
    10  C    4.584036   3.879970   5.910797   6.584883   6.111887
    11  C    3.813077   4.340549   2.537001   1.520017   2.529635
    12  C    4.320304   5.053369   3.021852   2.470062   3.566744
    13  O    4.642824   5.624950   3.347309   3.249391   4.514741
    14  O    4.935393   5.427381   3.825502   3.100871   3.799787
    15  H    1.083844   2.146838   2.137536   3.392229   3.846287
    16  H    2.140917   3.400537   1.082710   2.148022   3.377005
    17  H    3.845820   3.398430   3.377635   2.143049   1.083345
    18  H    3.373545   2.142999   3.849477   3.392969   2.142092
    19  H    3.398068   2.136803   4.552110   4.814189   4.010843
    20  H    2.729279   2.132965   4.072754   4.807267   4.481839
    21  H    2.949368   2.745708   4.154492   4.994797   4.869775
    22  H    4.562947   3.458648   5.521098   5.618558   4.760658
    23  H    4.727462   4.060733   5.662096   6.018385   5.508228
    24  H    3.475723   2.745412   4.203315   4.343753   3.776074
    25  H    5.164893   4.217879   6.470627   6.975827   6.303492
    26  H    4.662924   4.142390   6.039870   6.864961   6.517970
    27  H    5.298256   4.709528   6.570326   7.272152   6.853816
    28  H    4.537417   4.784622   3.402969   2.122475   2.567463
    29  C    4.426930   5.109280   3.152009   2.533499   3.568198
    30  H    5.444489   6.041826   4.373974   3.881415   4.650566
    31  H    4.524954   5.008781   3.448833   2.756681   3.470780
    32  H    4.169627   5.096773   2.917112   2.812090   4.038559
    33  H    5.476887   6.160230   4.160954   3.480820   4.456044
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.528958   0.000000
     8  C    3.515203   1.541423   0.000000
     9  C    3.504460   2.540501   1.527407   0.000000
    10  C    4.836002   2.518524   1.527819   2.519429   0.000000
    11  C    3.812247   5.844500   6.588194   6.537103   8.070851
    12  C    4.721601   6.517849   7.424095   7.625523   8.832437
    13  O    5.546454   7.030889   7.850866   8.176287   9.225363
    14  O    4.921312   6.836006   7.939973   8.170344   9.283157
    15  H    3.373301   2.716463   3.217969   4.182312   4.347062
    16  H    3.848742   4.660254   5.250736   5.721023   6.600894
    17  H    2.143890   4.671742   5.544886   5.217556   6.919072
    18  H    1.083364   2.732843   3.672550   3.454968   4.810462
    19  H    2.628750   1.094061   2.156896   2.773232   2.767058
    20  H    3.306622   1.093758   2.153625   3.470711   2.673861
    21  H    3.887353   2.141105   1.095719   2.137181   2.140029
    22  H    3.603058   2.806152   2.169478   1.093997   2.788501
    23  H    4.537151   3.492663   2.170921   1.091691   2.754779
    24  H    2.941054   2.794309   2.178942   1.090318   3.477344
    25  H    4.950363   2.786028   2.170861   2.790888   1.093644
    26  H    5.263067   2.757231   2.178219   3.477385   1.092103
    27  H    5.640736   3.478827   2.174819   2.759708   1.091773
    28  H    3.955337   6.264059   7.064666   6.863186   8.538024
    29  C    4.734068   6.556070   6.991314   6.795953   8.507597
    30  H    5.674431   7.394268   8.540959   8.896477   9.832037
    31  H    4.542975   6.382647   6.649840   6.236617   8.174832
    32  H    5.018902   6.477264   6.817720   6.776509   8.297840
    33  H    5.706503   7.622542   8.078888   7.845557   9.596724
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516777   0.000000
    13  O    2.425623   1.203831   0.000000
    14  O    2.377021   1.352366   2.241919   0.000000
    15  H    4.673604   5.006030   5.104836   5.683083   0.000000
    16  H    2.736530   2.857217   2.779458   3.878205   2.454702
    17  H    2.724342   3.821246   4.914202   3.838591   4.929571
    18  H    4.670910   5.617544   6.522197   5.662913   4.273694
    19  H    6.309182   7.021056   7.664504   7.169301   3.742717
    20  H    6.304994   6.752836   7.145157   7.031048   2.589102
    21  H    6.390767   7.165080   7.440095   7.833805   2.657253
    22  H    6.970430   8.081343   8.748979   8.476776   4.940165
    23  H    7.297311   8.426988   8.907930   9.069389   4.851142
    24  H    5.605190   6.786197   7.368757   7.388545   3.937077
    25  H    8.475224   9.268819   9.771287   9.591695   5.085487
    26  H    8.357611   8.950237   9.251259   9.374651   4.228676
    27  H    8.712219   9.544743   9.890343  10.094299   4.997639
    28  H    1.090675   2.112596   3.203732   2.428389   5.494688
    29  C    1.529856   2.509396   2.870224   3.652086   5.139096
    30  H    3.207267   1.880605   2.283963   0.970236   6.066792
    31  H    2.156789   3.451650   3.926543   4.472973   5.285277
    32  H    2.169134   2.759864   2.699881   4.071122   4.682173
    33  H    2.173739   2.770461   3.017454   3.808948   6.170256
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276159   0.000000
    18  H    4.932069   2.459774   0.000000
    19  H    5.498694   4.686709   2.392565   0.000000
    20  H    4.782973   5.399066   3.600079   1.754810   0.000000
    21  H    4.717274   5.810284   4.303510   3.042560   2.483907
    22  H    6.444007   5.245671   3.217694   2.592310   3.774579
    23  H    6.385086   6.134891   4.509493   3.774956   4.302650
    24  H    5.041720   4.391122   3.053850   3.128949   3.802090
    25  H    7.264314   6.995941   4.688369   2.586190   3.028048
    26  H    6.632714   7.397127   5.343298   3.117803   2.455076
    27  H    7.193471   7.649143   5.627041   3.772084   3.685786
    28  H    3.771455   2.304856   4.618581   6.561126   6.812714
    29  C    3.052791   3.780397   5.604441   7.140681   7.074234
    30  H    4.260276   4.761196   6.435163   7.760541   7.463292
    31  H    3.572940   3.604877   5.308379   6.918763   7.039691
    32  H    2.497192   4.488505   5.987625   7.200795   6.888192
    33  H    3.953852   4.488819   6.528958   8.176394   8.129094
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.055492   0.000000
    23  H    2.486546   1.765028   0.000000
    24  H    2.485802   1.765292   1.765919   0.000000
    25  H    3.058162   2.614066   3.124132   3.799224   0.000000
    26  H    2.488094   3.797550   3.756798   4.326904   1.765677
    27  H    2.492765   3.125732   2.544433   3.760977   1.764213
    28  H    7.010902   7.148343   7.659791   5.911207   8.823754
    29  C    6.630664   7.367728   7.368904   5.788103   9.025398
    30  H    8.388206   9.231495   9.797935   8.160227  10.168162
    31  H    6.342014   6.783621   6.733421   5.178513   8.660100
    32  H    6.301506   7.478599   7.281653   5.830399   8.928591
    33  H    7.717052   8.389740   8.399539   6.818924  10.103190
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766634   0.000000
    28  H    8.899245   9.205738   0.000000
    29  C    8.856831   8.987871   2.158933   0.000000
    30  H    9.829068  10.664088   3.369625   4.347682   0.000000
    31  H    8.645954   8.577499   2.503293   1.089949   5.260835
    32  H    8.563438   8.729957   3.065683   1.088637   4.612396
    33  H    9.945063  10.071155   2.494360   1.090863   4.420079
                   31         32         33
    31  H    0.000000
    32  H    1.769852   0.000000
    33  H    1.772856   1.762726   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.81D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.646549   -0.738131   -0.801564
      2          6           0       -1.432592   -0.511522    0.329783
      3          6           0        0.680010   -0.338401   -0.847846
      4          6           0        1.266867    0.302071    0.243935
      5          6           0        0.492409    0.520436    1.377965
      6          6           0       -0.838534    0.122026    1.417910
      7          6           0       -2.882387   -0.913637    0.347539
      8          6           0       -3.797679    0.013396   -0.476375
      9          6           0       -3.787727    1.442814    0.061806
     10          6           0       -5.218015   -0.547768   -0.520760
     11          6           0        2.713060    0.767110    0.191830
     12          6           0        3.602939   -0.429270   -0.086386
     13          8           0        3.981236   -0.787282   -1.171710
     14          8           0        3.915201   -1.096316    1.047826
     15          1           0       -1.080077   -1.240686   -1.658424
     16          1           0        1.270566   -0.537518   -1.733203
     17          1           0        0.933056    1.005917    2.240389
     18          1           0       -1.424007    0.306057    2.310676
     19          1           0       -3.244624   -0.936082    1.379648
     20          1           0       -2.980608   -1.931165   -0.041430
     21          1           0       -3.406098    0.034214   -1.499523
     22          1           0       -4.163541    1.470389    1.088857
     23          1           0       -4.425556    2.090476   -0.542757
     24          1           0       -2.782177    1.864314    0.062741
     25          1           0       -5.646809   -0.595436    0.484188
     26          1           0       -5.235024   -1.556669   -0.938514
     27          1           0       -5.870883    0.080410   -1.129959
     28          1           0        2.976513    1.139253    1.182625
     29          6           0        2.933498    1.865447   -0.850054
     30          1           0        4.436417   -1.871707    0.786177
     31          1           0        2.278614    2.710285   -0.637065
     32          1           0        2.713092    1.497500   -1.850637
     33          1           0        3.967865    2.211791   -0.839432
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5483934           0.2444328           0.2419028
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       970.5421025730 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0239563573 Hartrees.
 Nuclear repulsion after empirical dispersion term =      970.5181462157 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:39 2021, MaxMem=  6442450944 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  4.04D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:40 2021, MaxMem=  6442450944 cpu:               7.6 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer01_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               7.9 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.060838357501    
 DIIS: error= 3.71D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.060838357501     IErMin= 1 ErrMin= 3.71D-03
 ErrMax= 3.71D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-02 BMatP= 1.59D-02
 IDIUse=3 WtCom= 9.63D-01 WtEn= 3.71D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.364 Goal=   None    Shift=    0.000
 GapD=    0.364 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.49D-03 MaxDP=4.19D-01              OVMax= 1.34D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.07D-03    CP:  1.08D+00
 E= -656.073662205223     Delta-E=       -0.012823847722 Rises=F Damp=F
 DIIS: error= 6.52D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.073662205223     IErMin= 2 ErrMin= 6.52D-04
 ErrMax= 6.52D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.40D-04 BMatP= 1.59D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.52D-03
 Coeff-Com: -0.201D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.199D-01 0.102D+01
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.43D-03 MaxDP=6.89D-02 DE=-1.28D-02 OVMax= 6.64D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.14D-04    CP:  1.11D+00  1.09D+00
 E= -656.074096152123     Delta-E=       -0.000433946900 Rises=F Damp=F
 DIIS: error= 6.65D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.074096152123     IErMin= 2 ErrMin= 6.52D-04
 ErrMax= 6.65D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.07D-04 BMatP= 4.40D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.65D-03
 Coeff-Com: -0.440D-01 0.466D+00 0.578D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.437D-01 0.463D+00 0.580D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.14D-04 MaxDP=4.48D-03 DE=-4.34D-04 OVMax= 2.58D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.69D-05    CP:  1.11D+00  1.10D+00  1.03D+00
 E= -656.074312199671     Delta-E=       -0.000216047548 Rises=F Damp=F
 DIIS: error= 1.08D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.074312199671     IErMin= 4 ErrMin= 1.08D-04
 ErrMax= 1.08D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.35D-06 BMatP= 3.07D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.08D-03
 Coeff-Com: -0.116D-01 0.603D-01 0.148D+00 0.803D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.116D-01 0.602D-01 0.148D+00 0.804D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=4.33D-05 MaxDP=2.31D-03 DE=-2.16D-04 OVMax= 6.82D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.16D-05    CP:  1.11D+00  1.10D+00  1.06D+00  1.20D+00
 E= -656.074320269564     Delta-E=       -0.000008069892 Rises=F Damp=F
 DIIS: error= 5.63D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.074320269564     IErMin= 5 ErrMin= 5.63D-05
 ErrMax= 5.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.02D-06 BMatP= 9.35D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.126D-02-0.351D-01-0.282D-01 0.313D+00 0.749D+00
 Coeff:      0.126D-02-0.351D-01-0.282D-01 0.313D+00 0.749D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=2.03D-05 MaxDP=7.68D-04 DE=-8.07D-06 OVMax= 2.90D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.22D-05    CP:  1.11D+00  1.10D+00  1.08D+00  1.18D+00  9.70D-01
 E= -656.074322231157     Delta-E=       -0.000001961593 Rises=F Damp=F
 DIIS: error= 1.01D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.074322231157     IErMin= 6 ErrMin= 1.01D-05
 ErrMax= 1.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.79D-08 BMatP= 2.02D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.881D-03-0.144D-01-0.155D-01 0.725D-01 0.254D+00 0.703D+00
 Coeff:      0.881D-03-0.144D-01-0.155D-01 0.725D-01 0.254D+00 0.703D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=4.58D-06 MaxDP=2.14D-04 DE=-1.96D-06 OVMax= 8.84D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.27D-06    CP:  1.11D+00  1.10D+00  1.08D+00  1.19D+00  1.00D+00
                    CP:  9.85D-01
 E= -656.074322307745     Delta-E=       -0.000000076587 Rises=F Damp=F
 DIIS: error= 4.13D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.074322307745     IErMin= 7 ErrMin= 4.13D-06
 ErrMax= 4.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-08 BMatP= 8.79D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.287D-03-0.287D-02-0.428D-02-0.318D-02 0.342D-01 0.349D+00
 Coeff-Com:  0.627D+00
 Coeff:      0.287D-03-0.287D-02-0.428D-02-0.318D-02 0.342D-01 0.349D+00
 Coeff:      0.627D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.87D-06 MaxDP=9.97D-05 DE=-7.66D-08 OVMax= 6.86D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.21D-06    CP:  1.11D+00  1.10D+00  1.08D+00  1.19D+00  1.01D+00
                    CP:  1.04D+00  1.06D+00
 E= -656.074322330678     Delta-E=       -0.000000022934 Rises=F Damp=F
 DIIS: error= 1.56D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.074322330678     IErMin= 8 ErrMin= 1.56D-06
 ErrMax= 1.56D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.24D-09 BMatP= 2.32D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.436D-04 0.139D-02 0.121D-02-0.127D-01-0.296D-01-0.164D-01
 Coeff-Com:  0.220D+00 0.836D+00
 Coeff:     -0.436D-04 0.139D-02 0.121D-02-0.127D-01-0.296D-01-0.164D-01
 Coeff:      0.220D+00 0.836D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=9.21D-07 MaxDP=3.79D-05 DE=-2.29D-08 OVMax= 2.22D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.12D-07    CP:  1.11D+00  1.10D+00  1.08D+00  1.19D+00  1.01D+00
                    CP:  1.06D+00  1.12D+00  1.03D+00
 E= -656.074322333201     Delta-E=       -0.000000002522 Rises=F Damp=F
 DIIS: error= 3.62D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.074322333201     IErMin= 9 ErrMin= 3.62D-07
 ErrMax= 3.62D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-10 BMatP= 2.24D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.504D-04 0.959D-03 0.998D-03-0.592D-02-0.175D-01-0.441D-01
 Coeff-Com:  0.510D-01 0.392D+00 0.623D+00
 Coeff:     -0.504D-04 0.959D-03 0.998D-03-0.592D-02-0.175D-01-0.441D-01
 Coeff:      0.510D-01 0.392D+00 0.623D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.95D-07 MaxDP=8.72D-06 DE=-2.52D-09 OVMax= 8.16D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.39D-07    CP:  1.11D+00  1.10D+00  1.08D+00  1.19D+00  1.01D+00
                    CP:  1.06D+00  1.15D+00  9.92D-01  1.08D+00
 E= -656.074322333519     Delta-E=       -0.000000000318 Rises=F Damp=F
 DIIS: error= 1.26D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.074322333519     IErMin=10 ErrMin= 1.26D-07
 ErrMax= 1.26D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.37D-11 BMatP= 3.39D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.884D-05 0.927D-04 0.111D-03-0.458D-04-0.961D-03-0.107D-01
 Coeff-Com: -0.113D-01-0.116D-01 0.174D+00 0.860D+00
 Coeff:     -0.884D-05 0.927D-04 0.111D-03-0.458D-04-0.961D-03-0.107D-01
 Coeff:     -0.113D-01-0.116D-01 0.174D+00 0.860D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=7.62D-08 MaxDP=3.04D-06 DE=-3.18D-10 OVMax= 2.56D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.41D-08    CP:  1.11D+00  1.10D+00  1.08D+00  1.19D+00  1.01D+00
                    CP:  1.06D+00  1.15D+00  1.02D+00  1.12D+00  1.01D+00
 E= -656.074322333636     Delta-E=       -0.000000000117 Rises=F Damp=F
 DIIS: error= 4.68D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.074322333636     IErMin=11 ErrMin= 4.68D-08
 ErrMax= 4.68D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.84D-12 BMatP= 2.37D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.258D-05-0.806D-04-0.799D-04 0.717D-03 0.180D-02 0.934D-03
 Coeff-Com: -0.953D-02-0.546D-01-0.146D-02 0.345D+00 0.717D+00
 Coeff:      0.258D-05-0.806D-04-0.799D-04 0.717D-03 0.180D-02 0.934D-03
 Coeff:     -0.953D-02-0.546D-01-0.146D-02 0.345D+00 0.717D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=2.66D-08 MaxDP=1.53D-06 DE=-1.17D-10 OVMax= 9.12D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.81D-08    CP:  1.11D+00  1.10D+00  1.08D+00  1.19D+00  1.01D+00
                    CP:  1.06D+00  1.15D+00  1.01D+00  1.15D+00  1.01D+00
                    CP:  9.75D-01
 E= -656.074322333640     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 1.27D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -656.074322333640     IErMin=12 ErrMin= 1.27D-08
 ErrMax= 1.27D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.36D-13 BMatP= 3.84D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.181D-05-0.352D-04-0.364D-04 0.217D-03 0.648D-03 0.158D-02
 Coeff-Com: -0.738D-03-0.147D-01-0.211D-01-0.139D-01 0.210D+00 0.838D+00
 Coeff:      0.181D-05-0.352D-04-0.364D-04 0.217D-03 0.648D-03 0.158D-02
 Coeff:     -0.738D-03-0.147D-01-0.211D-01-0.139D-01 0.210D+00 0.838D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.13D-08 MaxDP=3.89D-07 DE=-4.32D-12 OVMax= 3.31D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.51D-09    CP:  1.11D+00  1.10D+00  1.08D+00  1.19D+00  1.01D+00
                    CP:  1.06D+00  1.15D+00  1.01D+00  1.15D+00  1.02D+00
                    CP:  1.05D+00  9.80D-01
 E= -656.074322333673     Delta-E=       -0.000000000033 Rises=F Damp=F
 DIIS: error= 3.84D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -656.074322333673     IErMin=13 ErrMin= 3.84D-09
 ErrMax= 3.84D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.71D-14 BMatP= 3.36D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.171D-06-0.607D-08 0.107D-06-0.224D-04-0.348D-04 0.210D-03
 Coeff-Com:  0.835D-03 0.211D-02-0.394D-02-0.375D-01-0.283D-01 0.163D+00
 Coeff-Com:  0.903D+00
 Coeff:      0.171D-06-0.607D-08 0.107D-06-0.224D-04-0.348D-04 0.210D-03
 Coeff:      0.835D-03 0.211D-02-0.394D-02-0.375D-01-0.283D-01 0.163D+00
 Coeff:      0.903D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=3.61D-09 MaxDP=1.58D-07 DE=-3.30D-11 OVMax= 1.54D-07

 SCF Done:  E(RwB97XD) =  -656.074322334     A.U. after   13 cycles
            NFock= 13  Conv=0.36D-08     -V/T= 2.0113
 KE= 6.487248968808D+02 PE=-3.463444362348D+03 EE= 1.188126996918D+03
 Leave Link  502 at Wed Sep  8 12:37:59 2021, MaxMem=  6442450944 cpu:            3961.5 elap:             496.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.58722545D+02

 Leave Link  801 at Wed Sep  8 12:37:59 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10080 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 4.08D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 1.94D-01 8.06D-02.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 4.69D-02 9.88D-02.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 5.39D-03 2.23D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 7.83D-04 7.28D-03.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 1.10D-04 1.92D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 5.36D-06 4.39D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 2.16D-07 5.82D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 6.36D-09 1.07D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 1.96D-10 1.86D-06.
     11 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 6.02D-12 3.75D-07.
      8 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 1.86D-13 8.66D-08.
      3 vectors produced by pass 12 Test12= 3.68D-13 8.33D-09 XBig12= 1.73D-14 1.29D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   132 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.216209D+03
      2  0.912717D+01  0.135457D+03
      3 -0.435130D+01  0.708906D+01  0.148555D+03
 Isotropic polarizability for W=    0.088559      166.74 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.254884D+03 -0.695196D+02 -0.489852D+02
      2   0.137145D+03  0.651961D+02  0.233880D+01
      3   0.117739D+03  0.432355D+01  0.466464D+02
      4  -0.522224D+01 -0.100093D+03 -0.252441D+02
      5  -0.446636D+02 -0.231342D+02 -0.752401D+02
      6  -0.520034D+01 -0.220643D+02  0.186649D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.596538D+01 -0.125180D+01 -0.619790D+01
      2  -0.405609D+02 -0.143034D+02 -0.360784D+02
      3   0.258787D+02  0.546741D+02  0.764540D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.210993D+01 -0.244032D+02 -0.143414D+02
      2  -0.432162D+01 -0.200438D+02 -0.192980D+03
      3   0.642974D+02  0.237238D+03  0.179339D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.280150D+01  0.686259D+01  0.132430D+01
      2   0.686259D+01  0.179444D+01  0.883344D+00
      3   0.132430D+01  0.883344D+00  0.314476D+00
 OR G Eigenvalues:    -7.7800     0.0236     7.0638  Iso=     0.2309
 Eigenvectors:
   (1)   0.813830  -0.576847  -0.070196
   (2)  -0.069475  -0.216519   0.973803
   (3)   0.576935   0.787634   0.216286
 w=    0.088559 a.u., Optical Rotation Beta=      0.2309 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =       56.75 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 4.35D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.33D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 3.67D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 4.41D-02 2.87D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 2.49D-03 8.73D-03.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 5.57D-05 1.70D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 1.47D-06 2.05D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 2.40D-08 2.67D-05.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 3.07D-10 2.36D-06.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 4.30D-12 2.11D-07.
     29 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 4.59D-14 1.80D-08.
      8 vectors produced by pass  9 Test12= 6.13D-14 2.78D-09 XBig12= 1.32D-14 1.06D-08.
      8 vectors produced by pass 10 Test12= 6.13D-14 2.78D-09 XBig12= 2.63D-14 1.53D-08.
      3 vectors produced by pass 11 Test12= 6.13D-14 2.78D-09 XBig12= 1.31D-14 9.24D-09.
      1 vectors produced by pass 12 Test12= 6.13D-14 2.78D-09 XBig12= 2.13D-15 3.74D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   289 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.60D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.60D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.25D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.216209D+03  0.912717D+01 -0.435130D+01
      2   0.912717D+01  0.135457D+03  0.708906D+01
      3  -0.435130D+01  0.708906D+01  0.148555D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.596538D+01 -0.125180D+01 -0.619790D+01
      2  -0.405609D+02 -0.143034D+02 -0.360784D+02
      3   0.258787D+02  0.546741D+02  0.764540D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.254884D+03 -0.695196D+02 -0.489852D+02
      2   0.137145D+03  0.651961D+02  0.233880D+01
      3   0.117739D+03  0.432355D+01  0.466464D+02
      4  -0.522224D+01 -0.100093D+03 -0.252441D+02
      5  -0.446636D+02 -0.231342D+02 -0.752401D+02
      6  -0.520034D+01 -0.220643D+02  0.186649D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.944178D+01  0.211166D+01 -0.655120D+00 -0.118885D+00 -0.138033D+00
      2   0.211166D+01  0.186591D+00  0.269895D+00 -0.138033D+00 -0.372696D+01
      3  -0.655120D+00  0.269895D+00 -0.162697D+01  0.152944D+01 -0.165191D+01
                 6             7             8             9            10 
      1   0.152944D+01 -0.116796D+02 -0.114356D+01 -0.924164D-03 -0.290977D+02
      2  -0.165191D+01 -0.114356D+01 -0.434264D-01  0.106760D+01 -0.309390D+01
      3   0.879080D+00 -0.924164D-03  0.106760D+01 -0.178173D+01 -0.403455D+00
                11            12            13            14            15 
      1  -0.309390D+01 -0.403455D+00 -0.672517D+01 -0.503072D+01  0.133823D+01
      2  -0.168653D+01 -0.706444D+00 -0.503072D+01 -0.294393D+01  0.416383D+00
      3  -0.706444D+00 -0.267597D+01  0.133823D+01  0.416383D+00 -0.641069D+00
                16            17            18            19            20 
      1  -0.102112D+01  0.169051D+01 -0.928719D+00 -0.767188D+01 -0.235514D+01
      2   0.169051D+01  0.667461D+00 -0.100781D+00 -0.235514D+01  0.167734D+01
      3  -0.928719D+00 -0.100781D+00  0.155420D+01  0.162907D+00  0.149113D+01
                21            22            23            24            25 
      1   0.162907D+00 -0.791556D+01  0.153279D+00  0.711478D+00 -0.106734D+02
      2   0.149113D+01  0.153279D+00 -0.132910D+01 -0.164026D+01 -0.250847D+01
      3   0.113154D+01  0.711478D+00 -0.164026D+01  0.197960D+01  0.535987D+00
                26            27            28            29            30 
      1  -0.250847D+01  0.535987D+00  0.260986D+02  0.410515D+01 -0.133227D+01
      2  -0.111532D+01  0.120296D+01  0.410515D+01  0.216848D+01  0.149324D+00
      3   0.120296D+01 -0.249298D+01 -0.133227D+01  0.149324D+00  0.243926D+01
                31            32            33            34            35 
      1   0.356056D+01  0.550054D+01 -0.155892D+01 -0.586320D+00 -0.120137D+01
      2   0.550054D+01  0.213388D+01 -0.781452D+00 -0.120137D+01 -0.162683D+01
      3  -0.155892D+01 -0.781452D+00  0.152936D+01  0.820823D+00  0.284824D+00
                36            37            38            39            40 
      1   0.820823D+00 -0.115326D+02 -0.257705D+01  0.111850D+01 -0.705679D+00
      2   0.284824D+00 -0.257705D+01 -0.306977D+00 -0.366714D+00  0.648005D+00
      3   0.817097D+00  0.111850D+01 -0.366714D+00  0.337123D+01 -0.163390D+01
                41            42            43            44            45 
      1   0.648005D+00 -0.163390D+01  0.130038D+02  0.988221D+00 -0.114816D+01
      2   0.384271D+01  0.206016D+01  0.988221D+00  0.637129D+00 -0.127003D+01
      3   0.206016D+01 -0.896013D+00 -0.114816D+01 -0.127003D+01  0.144525D+01
                46            47            48            49            50 
      1   0.973285D+01  0.234855D+01 -0.462147D+00  0.102220D+02 -0.558863D+00
      2   0.234855D+01 -0.148398D+01 -0.141296D+01 -0.558863D+00  0.114980D+01
      3  -0.462147D+00 -0.141296D+01 -0.226162D+01 -0.359086D+00  0.208494D+01
                51            52            53            54            55 
      1  -0.359086D+00  0.103759D+02  0.222151D+01  0.749960D+00  0.160233D+02
      2   0.208494D+01  0.222151D+01  0.124361D+01 -0.119296D+01 -0.680974D+00
      3  -0.326750D+01  0.749960D+00 -0.119296D+01  0.166989D+01  0.125417D+01
                56            57            58            59            60 
      1  -0.680974D+00  0.125417D+01 -0.398845D+01  0.436674D+01 -0.128099D+01
      2   0.133857D+01 -0.576668D+00  0.436674D+01  0.546286D+01  0.170426D+01
      3  -0.576668D+00  0.203530D+01 -0.128099D+01  0.170426D+01  0.161809D+00
                61            62            63            64            65 
      1   0.712253D+01 -0.816883D+00  0.385987D+01 -0.343663D+01  0.409705D+01
      2  -0.816883D+00  0.253649D+01  0.985674D+00  0.409705D+01 -0.774484D+00
      3   0.385987D+01  0.985674D+00 -0.436928D+01  0.619835D-01  0.121925D+01
                66            67            68            69            70 
      1   0.619835D-01  0.118671D+02 -0.167026D+01  0.220392D+01 -0.555691D+01
      2   0.121925D+01 -0.167026D+01 -0.407044D+01 -0.178612D+01  0.118176D+01
      3  -0.308180D+01  0.220392D+01 -0.178612D+01  0.352673D+00 -0.459744D+01
                71            72            73            74            75 
      1   0.118176D+01 -0.459744D+01 -0.331084D+01 -0.437840D+01  0.666550D+00
      2  -0.236762D+01  0.711980D-01 -0.437840D+01  0.100721D+01 -0.125062D+01
      3   0.711980D-01  0.564469D+01  0.666550D+00 -0.125062D+01  0.281369D+01
                76            77            78            79            80 
      1  -0.583598D+01  0.110532D+01 -0.164970D+01  0.155237D+01 -0.159678D+01
      2   0.110532D+01  0.199294D+01  0.243418D+01 -0.159678D+01  0.331570D+01
      3  -0.164970D+01  0.243418D+01 -0.101339D+01  0.379598D+01 -0.155271D+01
                81            82            83            84            85 
      1   0.379598D+01 -0.265350D+01 -0.393447D+01 -0.610021D-01 -0.610680D+01
      2  -0.155271D+01 -0.393447D+01  0.658096D+00 -0.164078D+01  0.196351D+01
      3  -0.415460D+01 -0.610021D-01 -0.164078D+01  0.342338D+01 -0.210439D+01
                86            87            88            89            90 
      1   0.196351D+01 -0.210439D+01  0.107849D+01 -0.178721D+01  0.483772D+01
      2   0.463262D+01  0.328408D+01 -0.178721D+01  0.326373D+01  0.275788D+00
      3   0.328408D+01 -0.198970D+00  0.483772D+01  0.275788D+00 -0.306390D+01
                91            92            93            94            95 
      1  -0.347016D+01  0.182603D+00 -0.647392D+00  0.380290D+01 -0.552773D+01
      2   0.182603D+00 -0.225282D+01  0.399553D+00 -0.552773D+01 -0.806084D+00
      3  -0.647392D+00  0.399553D+00 -0.124363D+01  0.105675D+01  0.122144D+01
                96            97            98            99           100 
      1   0.105675D+01  0.185947D+01  0.162782D+01 -0.213217D+01 -0.259560D+01
      2   0.122144D+01  0.162782D+01  0.277650D+01 -0.322428D+01 -0.861080D-01
      3  -0.265197D+01 -0.213217D+01 -0.322428D+01 -0.293313D+01  0.204412D+01
               101           102           103           104           105 
      1  -0.861080D-01  0.204412D+01 -0.148002D+00  0.181363D+01 -0.511607D+00
      2   0.126387D+01 -0.212698D-01  0.181363D+01 -0.190949D+01 -0.166966D+00
      3  -0.212698D-01 -0.119010D+01 -0.511607D+00 -0.166966D+00  0.215336D+01
               106           107           108           109           110 
      1   0.423330D+01 -0.179427D+01 -0.230750D+01  0.519633D+01 -0.128044D+01
      2  -0.179427D+01  0.883200D+00  0.231368D+01 -0.128044D+01  0.685300D+00
      3  -0.230750D+01  0.231368D+01  0.333525D+01 -0.378202D+01  0.272911D+00
               111           112           113           114           115 
      1  -0.378202D+01 -0.286080D+01  0.160266D+01  0.859605D+00 -0.911990D+01
      2   0.272911D+00  0.160266D+01 -0.170175D+01 -0.210601D+01  0.181616D+01
      3   0.234856D+01  0.859605D+00 -0.210601D+01 -0.193441D+01  0.405470D+01
               116           117           118           119           120 
      1   0.181616D+01  0.405470D+01 -0.478905D+00  0.164128D+01  0.128184D+01
      2  -0.319566D+01 -0.146529D+01  0.164128D+01 -0.284495D+01  0.208304D+00
      3  -0.146529D+01 -0.867066D+01  0.128184D+01  0.208304D+00  0.166148D+00
               121           122           123           124           125 
      1   0.182212D+01 -0.295253D+01  0.248224D+00  0.490549D+01 -0.120895D+01
      2  -0.295253D+01  0.320626D+01  0.102804D+01 -0.120895D+01  0.220844D+01
      3   0.248224D+00  0.102804D+01 -0.303077D+00  0.184583D+01 -0.194323D+01
               126           127           128           129           130 
      1   0.184583D+01 -0.202560D+01 -0.113024D+01 -0.159189D+01 -0.161436D+01
      2  -0.194323D+01 -0.113024D+01 -0.102017D+01 -0.104373D+01 -0.879159D+00
      3   0.444873D+01 -0.159189D+01 -0.104373D+01 -0.140855D+01 -0.153536D+01
               131           132           133           134           135 
      1  -0.879159D+00 -0.153536D+01 -0.185233D+01 -0.114163D+01 -0.200304D+01
      2  -0.145090D+01 -0.159041D+01 -0.114163D+01 -0.225288D+01 -0.270978D+01
      3  -0.159041D+01 -0.270800D+01 -0.200304D+01 -0.270978D+01 -0.526158D+01
               136           137           138           139           140 
      1   0.302533D+01 -0.190987D+00 -0.195286D+01 -0.522449D+00  0.156202D+00
      2  -0.190987D+00  0.425171D+00  0.186465D+00  0.156202D+00 -0.472715D+00
      3  -0.195286D+01  0.186465D+00  0.202261D+01  0.521060D+00 -0.502613D+00
               141           142           143           144           145 
      1   0.521060D+00 -0.277556D+01  0.716356D+00  0.273756D+01  0.202452D+01
      2  -0.502613D+00  0.716356D+00 -0.102947D+01 -0.115137D+01  0.123959D+01
      3  -0.154642D+01  0.273756D+01 -0.115137D+01 -0.501449D+01  0.175248D+01
               146           147           148           149           150 
      1   0.123959D+01  0.175248D+01  0.124905D+01  0.781918D+00  0.149324D+01
      2   0.100533D+01  0.109998D+01  0.781918D+00  0.106366D+01  0.146059D+01
      3   0.109998D+01  0.180730D+01  0.149324D+01  0.146059D+01  0.296113D+01
               151           152           153           154           155 
      1   0.177636D+01  0.113014D+01  0.218493D+01 -0.303938D+01  0.310205D+00
      2   0.113014D+01  0.211045D+01  0.268050D+01  0.310205D+00 -0.316474D+00
      3   0.218493D+01  0.268050D+01  0.618659D+01  0.252212D+01 -0.212930D+00
               156           157           158           159           160 
      1   0.252212D+01  0.244469D+00 -0.209868D+00 -0.456631D+00  0.291884D+01
      2  -0.212930D+00 -0.209868D+00  0.304983D+00  0.453597D+00 -0.697520D+00
      3  -0.294394D+01 -0.456631D+00  0.453597D+00  0.164876D+01 -0.320769D+01
               161           162           163           164           165 
      1  -0.697520D+00 -0.320769D+01 -0.228143D+01 -0.516000D-01  0.157207D+01
      2   0.946134D+00  0.111356D+01 -0.516000D-01 -0.711509D+00  0.586249D+00
      3   0.111356D+01  0.645479D+01  0.157207D+01  0.586249D+00 -0.171115D+01
               166           167           168           169           170 
      1   0.170951D+01 -0.694454D+00  0.261342D+00  0.370017D+01  0.770042D+00
      2  -0.694454D+00 -0.859828D+00  0.692555D+00  0.770042D+00  0.122654D+01
      3   0.261342D+00  0.692555D+00 -0.163633D+00 -0.219270D+01 -0.144142D+01
               171           172           173           174           175 
      1  -0.219270D+01 -0.183655D+01 -0.127053D+01 -0.618241D+00 -0.343825D+01
      2  -0.144142D+01 -0.127053D+01 -0.930885D+00  0.170570D-01 -0.267170D+01
      3   0.567697D+01 -0.618241D+00  0.170570D-01 -0.265653D+00 -0.306364D+00
               176           177           178           179           180 
      1  -0.267170D+01 -0.306364D+00 -0.438103D+01 -0.847095D+00 -0.112072D+01
      2  -0.825531D+01 -0.971464D+00 -0.847095D+00 -0.228758D+01 -0.123038D+01
      3  -0.971464D+00 -0.889586D+00 -0.112072D+01 -0.123038D+01 -0.428104D+00
               181           182           183           184           185 
      1   0.202420D+01 -0.727588D+00 -0.126142D+01 -0.151393D+01  0.283034D+00
      2  -0.727588D+00  0.497966D+00 -0.270879D+00  0.283034D+00  0.585731D+00
      3  -0.126142D+01 -0.270879D+00  0.148970D+01 -0.193348D+00 -0.684602D+00
               186           187           188           189           190 
      1  -0.193348D+00 -0.218873D+01 -0.229267D+00  0.945455D+00 -0.137109D+01
      2  -0.684602D+00 -0.229267D+00 -0.104518D+01  0.225201D-01  0.910188D+00
      3   0.116559D+00  0.945455D+00  0.225201D-01 -0.667812D+01  0.135043D+01
               191           192           193           194           195 
      1   0.910188D+00  0.135043D+01  0.428594D+00 -0.506923D+00 -0.104130D-01
      2  -0.922631D+00 -0.317776D+00 -0.506923D+00  0.308471D+00  0.591912D+00
      3  -0.317776D+00 -0.186380D+01 -0.104130D-01  0.591912D+00  0.310598D+00
               196           197           198           199           200 
      1   0.243309D+01 -0.632892D+00 -0.222270D+01 -0.389115D+01  0.308443D+01
      2  -0.632892D+00  0.171457D+01  0.148070D+01  0.308443D+01 -0.295624D+01
      3  -0.222270D+01  0.148070D+01  0.596974D+01 -0.144054D+01  0.102175D+01
               201           202           203           204           205 
      1  -0.144054D+01  0.285701D+01 -0.293735D+01  0.118248D+01 -0.272961D+01
      2   0.102175D+01 -0.293735D+01  0.422636D+01 -0.179602D+01  0.186657D+01
      3  -0.142971D+01  0.118248D+01 -0.179602D+01  0.131788D+01 -0.192835D+01
               206           207           208           209           210 
      1   0.186657D+01 -0.192835D+01  0.780953D+01  0.154320D+01  0.229719D+00
      2  -0.301920D+01  0.175113D+01  0.154320D+01  0.270671D+01  0.149606D+00
      3   0.175113D+01 -0.166224D+01  0.229719D+00  0.149606D+00  0.495774D+00
               211           212           213           214           215 
      1   0.156522D+01  0.159274D+01  0.127640D+00  0.385925D+00  0.389869D-01
      2   0.159274D+01  0.196461D+01 -0.155344D+00  0.389869D-01 -0.351191D+00
      3   0.127640D+00 -0.155344D+00  0.544549D+00  0.136221D+00  0.631130D+00
               216           217           218           219           220 
      1   0.136221D+00 -0.289235D+01 -0.965139D-01  0.177261D+01  0.375466D+00
      2   0.631130D+00 -0.965139D-01 -0.573645D+00  0.371807D+00 -0.915424D+00
      3   0.378276D+00  0.177261D+01  0.371807D+00 -0.193033D+01  0.316045D+00
               221           222           223           224           225 
      1  -0.915424D+00  0.316045D+00  0.461456D+01  0.940022D+00 -0.316601D+01
      2  -0.741758D+00  0.421605D+00  0.940022D+00  0.116531D+01 -0.632843D+00
      3   0.421605D+00 -0.202542D+00 -0.316601D+01 -0.632843D+00  0.511094D+01
               226           227           228           229           230 
      1  -0.874793D-01 -0.750075D+00 -0.381473D+00 -0.249853D+01 -0.247098D+01
      2  -0.750075D+00 -0.422740D+00 -0.619680D-01 -0.247098D+01 -0.751088D+01
      3  -0.381473D+00 -0.619680D-01 -0.391903D+00 -0.729627D+00 -0.239197D+01
               231           232           233           234           235 
      1  -0.729627D+00 -0.124881D+01 -0.631492D+00 -0.124166D+01 -0.615829D+01
      2  -0.239197D+01 -0.631492D+00 -0.255570D+01 -0.163101D+01  0.188227D+01
      3  -0.179546D+01 -0.124166D+01 -0.163101D+01 -0.131469D+01 -0.248334D+01
               236           237           238           239           240 
      1   0.188227D+01 -0.248334D+01  0.501175D+01 -0.196726D+01  0.180239D+01
      2  -0.126782D+01  0.884476D+00 -0.196726D+01  0.161398D+01 -0.138718D+01
      3   0.884476D+00 -0.202853D+01  0.180239D+01 -0.138718D+01  0.155855D+01
               241           242           243           244           245 
      1  -0.431731D+01  0.104453D+01 -0.312674D+01 -0.123939D+00  0.300357D+00
      2   0.104453D+01 -0.156482D+01  0.914152D+00  0.300357D+00  0.713328D+00
      3  -0.312674D+01  0.914152D+00 -0.240797D+01  0.168054D+01  0.328239D+00
               246           247           248           249           250 
      1   0.168054D+01  0.498733D+00  0.125761D+01  0.481748D+00  0.291806D+01
      2   0.328239D+00  0.125761D+01  0.169640D+01  0.114580D+01  0.670647D+00
      3   0.101013D+01  0.481748D+00  0.114580D+01  0.167711D+01  0.165832D+01
               251           252           253           254           255 
      1   0.670647D+00  0.165832D+01 -0.747563D+01 -0.516989D+01  0.756415D+00
      2   0.170890D+01  0.162434D+01 -0.516989D+01  0.175201D+01  0.416584D+00
      3   0.162434D+01  0.505648D+01  0.756415D+00  0.416584D+00  0.903405D+00
               256           257           258           259           260 
      1  -0.184677D+01  0.333429D+01 -0.605705D+00 -0.301241D+01 -0.113330D+01
      2   0.333429D+01 -0.443938D+00 -0.198939D+01 -0.113330D+01 -0.335915D+01
      3  -0.605705D+00 -0.198939D+01  0.274725D+01  0.220841D+01  0.269695D+01
               261           262           263           264           265 
      1   0.220841D+01  0.370736D+01 -0.297077D+01  0.931367D+00 -0.384359D+01
      2   0.269695D+01 -0.297077D+01  0.303821D+01 -0.632563D+00  0.422378D+01
      3   0.254512D+01  0.931367D+00 -0.632563D+00  0.878227D+00 -0.862543D+00
               266           267           268           269           270 
      1   0.422378D+01 -0.862543D+00 -0.902118D+00  0.939822D+00  0.414922D+00
      2  -0.603062D+01  0.112685D+01  0.939822D+00 -0.104740D+01 -0.444059D+00
      3   0.112685D+01 -0.132767D+01  0.414922D+00 -0.444059D+00  0.426847D+00
               271           272           273           274           275 
      1  -0.144978D+01  0.192986D+01  0.112935D+00  0.192008D+01 -0.146097D+01
      2   0.192986D+01 -0.344571D+01  0.263427D+00 -0.146097D+01  0.641389D+01
      3   0.112935D+00  0.263427D+00 -0.788141D+00 -0.600470D-01 -0.226772D-01
               276           277           278           279           280 
      1  -0.600470D-01  0.802782D+00  0.259920D-01 -0.490648D+00  0.207158D+00
      2  -0.226772D-01  0.259920D-01  0.144914D+01  0.464222D+00  0.170069D+00
      3   0.694080D+00 -0.490648D+00  0.464222D+00  0.341447D-01 -0.723096D+00
               281           282           283           284           285 
      1   0.170069D+00 -0.723096D+00 -0.687814D+00 -0.600201D+00  0.148814D+00
      2  -0.558922D+00  0.121559D+00 -0.600201D+00 -0.693855D+00 -0.228443D+00
      3   0.121559D+00 -0.798035D+00  0.148814D+00 -0.228443D+00 -0.126675D+01
               286           287           288           289           290 
      1  -0.162847D+01 -0.313599D+00  0.546191D-01  0.115896D+02  0.488821D+01
      2  -0.313599D+00 -0.138766D+01  0.903882D-01  0.488821D+01  0.335231D+01
      3   0.546191D-01  0.903882D-01 -0.604749D+01 -0.147450D+01 -0.942273D+00
               291           292           293           294           295 
      1  -0.147450D+01  0.323646D+01  0.240917D+01 -0.423792D+00 -0.761502D-02
      2  -0.942273D+00  0.240917D+01  0.234840D+01 -0.273555D+00  0.152197D-01
      3   0.130358D+01 -0.423792D+00 -0.273555D+00  0.174137D+00  0.973864D+00
               296           297 
      1   0.152197D-01  0.973864D+00
      2   0.395799D+00  0.318843D+00
      3   0.318843D+00 -0.474038D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.189644D+01  0.263532D+00 -0.259532D+01  0.578038D+01  0.910020D+00
      2  -0.139469D+02  0.214627D+01  0.861785D+01  0.433989D+01 -0.474772D+00
      3  -0.309425D+01 -0.337341D+01 -0.379774D+01  0.122120D+02  0.637669D-01
                 6             7             8             9            10 
      1  -0.268626D+01 -0.481739D+01  0.196241D+01  0.844081D+00 -0.502842D+01
      2  -0.582563D+00  0.417267D+01 -0.155649D+01 -0.490773D+01  0.182525D+02
      3  -0.379650D+01 -0.216295D+01  0.958906D+00  0.483128D+01  0.233754D+01
                11            12            13            14            15 
      1   0.498638D+00  0.190985D+01  0.757528D+00 -0.469680D+01 -0.764438D+01
      2   0.143652D+01 -0.300825D+01 -0.988173D+00  0.158640D+01 -0.220696D+01
      3   0.161762D+01  0.980197D+00  0.118546D+02 -0.691902D+00 -0.851287D+00
                16            17            18            19            20 
      1   0.858142D+01  0.497905D+00  0.377439D+01 -0.848180D+00 -0.542522D+00
      2  -0.228402D+02 -0.170639D+01  0.344837D+01  0.925710D+01  0.270347D+01
      3   0.637069D+01 -0.144210D+01 -0.362811D+01 -0.489935D+01 -0.136463D+01
                21            22            23            24            25 
      1   0.402666D+00 -0.735766D+01 -0.402640D+01 -0.207870D+01  0.118615D+01
      2   0.498493D+01  0.814972D+01  0.393215D+01  0.173879D+01  0.332325D+01
      3  -0.538962D+00  0.112105D+02  0.268176D+01  0.251814D+01 -0.561401D+01
                26            27            28            29            30 
      1   0.230852D+01 -0.182158D+01  0.227728D+01  0.253639D+01  0.422144D+01
      2   0.164103D+01  0.211510D+01 -0.147559D+02 -0.369520D+01 -0.119644D+01
      3  -0.418942D+00 -0.197930D+01 -0.294189D+01 -0.141381D-01  0.159550D+01
                31            32            33            34            35 
      1   0.641877D+01 -0.163617D+01 -0.816964D+01  0.637091D+01  0.502193D+00
      2  -0.702719D+01 -0.560872D+01 -0.175163D+01 -0.235031D+02 -0.228679D+01
      3   0.874137D+01  0.425005D+01 -0.513378D-01  0.365841D+01  0.248922D+01
                36            37            38            39            40 
      1   0.374313D+01 -0.359083D+01 -0.457584D+00 -0.110292D+01  0.428745D+01
      2   0.249198D+01  0.631212D+01  0.486785D+01  0.486958D+01  0.489608D+01
      3  -0.332232D+01 -0.196627D+01 -0.265126D+01 -0.329537D+01  0.100680D+02
                41            42            43            44            45 
      1   0.407148D+01 -0.660425D+00 -0.548643D+00  0.219560D+01  0.255243D+00
      2   0.915411D+00 -0.520020D+00 -0.127335D+02 -0.319218D+01 -0.438431D+00
      3  -0.893042D+00 -0.424255D+01  0.702924D+00 -0.102249D+01  0.353527D+01
                46            47            48            49            50 
      1   0.466740D+01 -0.163141D+01 -0.107378D+01 -0.649941D+01 -0.125121D+01
      2  -0.799550D+01 -0.198069D+01  0.391493D+01 -0.493882D+01  0.494013D+00
      3  -0.432321D+01 -0.139797D+01 -0.613712D+00  0.930817D+01  0.287968D+01
                51            52            53            54            55 
      1  -0.193960D+01  0.431489D+01  0.323202D+01 -0.405299D+00  0.428832D+01
      2   0.316366D+01 -0.968718D+01 -0.116166D+01  0.655004D-01 -0.900735D+01
      3   0.366519D+01 -0.628172D+01  0.324106D+00 -0.170146D+01 -0.119377D+02
                56            57            58            59            60 
      1  -0.132621D+01  0.123210D+01 -0.332701D+01  0.617403D+01 -0.133020D+01
      2   0.149368D+01 -0.283244D+01  0.434188D+01 -0.964341D+01 -0.555751D+00
      3   0.219704D+01 -0.252966D+01  0.249603D+02  0.136755D+02  0.724861D+01
                61            62            63            64            65 
      1   0.466498D+01  0.346685D+01 -0.548588D+01 -0.459312D+01  0.612541D+00
      2  -0.244006D+02 -0.304780D+01  0.159187D+02  0.435148D+01 -0.352088D+01
      3  -0.838560D+01  0.845894D+01 -0.190146D+01  0.231163D+02 -0.763805D+01
                66            67            68            69            70 
      1  -0.317676D+00  0.475466D+00  0.118195D+01 -0.160581D+01 -0.400783D+01
      2   0.164406D+02 -0.993651D+01  0.883248D+01  0.281890D+00  0.175318D+02
      3   0.547148D+01 -0.709084D+01 -0.153355D+02 -0.777496D+01  0.106053D+02
                71            72            73            74            75 
      1   0.499407D+01 -0.452960D+00 -0.316080D+00  0.273069D+01 -0.543866D+01
      2  -0.554797D+00 -0.280955D+02 -0.170372D+01  0.662966D+01 -0.951288D+01
      3  -0.930700D+01  0.228554D+01 -0.268075D+02 -0.769166D+01 -0.480236D+01
                76            77            78            79            80 
      1   0.345133D+01 -0.681652D+01  0.467384D+00 -0.739157D+01  0.588055D+01
      2   0.852259D+01 -0.964339D+01  0.456851D+01 -0.175293D+02  0.662278D+01
      3  -0.276360D+01  0.874649D+01  0.696270D+01 -0.605446D+01  0.980601D+01
                81            82            83            84            85 
      1   0.780787D+01  0.234215D+01 -0.121042D+01  0.332899D+01 -0.227756D+01
      2   0.167534D+02 -0.216134D+01  0.693240D+01 -0.177311D+02  0.892417D+01
      3  -0.133048D+01 -0.200671D+02  0.493077D+01 -0.915520D+01  0.199797D+02
                86            87            88            89            90 
      1  -0.747633D-01 -0.328724D+01  0.504795D+01  0.168520D+00 -0.176959D+01
      2  -0.183670D+02 -0.119682D+01 -0.315673D+02 -0.331678D+01  0.193911D+02
      3   0.261222D+02  0.205955D+02 -0.100271D+02  0.194979D+02 -0.212637D+01
                91            92            93            94            95 
      1  -0.171848D+01 -0.473972D+00  0.201295D+01  0.105020D+01 -0.638937D+00
      2   0.272787D+00  0.116572D+01  0.701429D+00  0.200729D+01  0.582963D+01
      3  -0.100959D+02  0.159831D+01 -0.909738D+00  0.306782D+02 -0.105050D+01
                96            97            98            99           100 
      1  -0.921122D+00  0.519175D+01  0.735418D+01  0.244639D+01  0.223363D+01
      2  -0.960969D+01 -0.146706D+02 -0.114283D+02 -0.102133D+02  0.210145D+01
      3  -0.420900D+01 -0.205831D+01 -0.655265D+01  0.824491D+01  0.216333D+02
               101           102           103           104           105 
      1   0.304775D+01 -0.587549D+01 -0.591465D+00  0.111414D+01 -0.375503D+01
      2  -0.551710D+00 -0.292895D+00 -0.325010D+00 -0.156888D+01  0.158951D+02
      3  -0.955489D+01  0.162973D+01 -0.114776D+01 -0.551093D+01 -0.873780D+00
               106           107           108           109           110 
      1  -0.415623D+01 -0.492296D+01  0.143247D+01 -0.173424D+01 -0.338230D+01
      2  -0.750894D+01  0.968982D+01  0.170869D+02 -0.102642D+02  0.765317D+00
      3   0.863157D+01 -0.674040D+01 -0.793488D+01 -0.192231D+01 -0.496566D+01
               111           112           113           114           115 
      1   0.281822D+01 -0.937931D+00  0.115915D+01 -0.290946D+01  0.480098D+00
      2   0.110083D+02 -0.687493D+00 -0.792754D+01 -0.102840D+02  0.618317D+01
      3  -0.377382D+00 -0.523059D+01  0.100872D+02  0.856730D+01 -0.951634D+01
               116           117           118           119           120 
      1   0.794093D+01 -0.604196D+01  0.280231D+01 -0.119422D+01  0.798941D+00
      2  -0.480631D+01 -0.364507D+02  0.556965D+01 -0.710602D+00  0.250186D+01
      3   0.141278D+02  0.664151D+01 -0.804749D+01  0.766435D+01 -0.238723D+01
               121           122           123           124           125 
      1  -0.174343D+01  0.261573D+01 -0.204742D+01 -0.269860D+01  0.679956D+01
      2   0.166189D+01  0.657586D+01 -0.283186D+01  0.252185D+00 -0.515803D+01
      3   0.997199D+01 -0.837614D+01 -0.424510D+01  0.359686D+01 -0.882679D+01
               126           127           128           129           130 
      1   0.486753D+01 -0.396387D+00  0.133899D+01 -0.424346D+00 -0.840066D+00
      2   0.180451D+02 -0.390099D+01 -0.600664D+00 -0.470301D+00 -0.192739D+01
      3   0.629090D+01  0.228892D+01 -0.208350D+00  0.614619D+00  0.296390D+01
               131           132           133           134           135 
      1   0.389772D+00 -0.315245D+01 -0.914137D+00  0.226075D+01 -0.247029D+01
      2   0.155593D+00  0.484517D+00 -0.309072D+01  0.494972D+00  0.207157D+01
      3  -0.906214D+00  0.308634D+00  0.187374D+01 -0.164104D+01 -0.362524D+00
               136           137           138           139           140 
      1  -0.121712D+01 -0.171129D+01  0.182838D+01 -0.446193D-01  0.245274D+00
      2   0.539720D+01 -0.224830D+00 -0.658869D+00  0.644475D+00 -0.984453D-02
      3  -0.248139D+01 -0.925439D+00  0.121720D+01  0.732866D+00  0.668336D+00
               141           142           143           144           145 
      1  -0.152736D+01  0.688696D+00  0.294304D+01 -0.108081D+01  0.138129D+01
      2  -0.960916D+00 -0.478355D+01  0.189265D+00 -0.122567D+01 -0.446131D+01
      3  -0.201851D+00  0.165693D+01  0.158248D+01 -0.917889D+00  0.795955D+00
               146           147           148           149           150 
      1   0.245815D+01  0.548245D+00  0.155817D+00  0.132698D+01 -0.154303D+01
      2  -0.147831D+01 -0.102340D+01 -0.274467D+01 -0.642458D+00 -0.409961D+00
      3  -0.706039D+00  0.700523D-01  0.185441D+01 -0.630981D+00 -0.510813D-01
               151           152           153           154           155 
      1   0.647005D+00  0.428792D+01  0.253195D+00  0.196526D+00 -0.207061D+01
      2  -0.388138D+01 -0.452272D+00  0.663819D+00  0.586897D+01 -0.501429D+00
      3   0.808090D+00 -0.208215D+01 -0.836615D+00 -0.101755D+01 -0.118346D+01
               156           157           158           159           160 
      1   0.653165D+00  0.210548D+00  0.603369D+00 -0.103097D+01 -0.127499D+01
      2  -0.845451D+00  0.397569D+00 -0.224581D-01 -0.113443D+01 -0.512683D+01
      3   0.531634D+00  0.123509D+01  0.418205D+00  0.784055D-01  0.681821D-01
               161           162           163           164           165 
      1   0.387582D+01  0.120606D+01  0.177862D+01 -0.341334D+00 -0.186667D+01
      2   0.424156D+00 -0.107054D+01 -0.427852D+01 -0.190402D+01  0.634442D+01
      3   0.189120D+01 -0.347306D+00  0.272349D+01 -0.316310D+01  0.261782D-01
               166           167           168           169           170 
      1   0.663507D+00  0.213564D+00 -0.980880D+00 -0.197475D+01  0.153559D+01
      2  -0.199929D+01 -0.137369D+01  0.129716D+00  0.123150D+01  0.387469D+01
      3  -0.145555D+01 -0.190979D+01  0.146687D+01 -0.162641D+01  0.369836D+01
               171           172           173           174           175 
      1   0.684250D+01 -0.116458D+01 -0.273406D+00 -0.955674D+00 -0.135433D+01
      2  -0.176898D+02  0.387574D+01  0.714238D+00  0.244874D+01  0.254890D+01
      3  -0.109594D+01 -0.152990D+01 -0.255935D+01  0.395447D+00 -0.157254D+01
               176           177           178           179           180 
      1  -0.450177D+01 -0.401106D+01 -0.185926D+01 -0.166139D+01 -0.129896D+01
      2   0.599540D+01  0.350050D+01  0.400363D+01  0.441115D+01  0.117259D+01
      3  -0.226582D+02 -0.218607D+01  0.180592D+01 -0.668922D+01 -0.222195D+01
               181           182           183           184           185 
      1   0.153403D+01 -0.121240D+01  0.787969D-01 -0.374734D+00 -0.618970D+00
      2   0.985841D+01  0.392812D+00 -0.686899D+01 -0.414449D+00  0.318877D+01
      3  -0.314308D+01  0.132289D+01 -0.717517D+00  0.334015D+01  0.227649D+01
               186           187           188           189           190 
      1  -0.601439D+00 -0.329678D+00  0.308218D+01  0.325032D+00 -0.254306D+01
      2  -0.278551D+00 -0.101497D+02 -0.930051D-01  0.279552D+02 -0.481619D+01
      3  -0.258020D+01 -0.714619D+00 -0.342846D+01  0.203101D+00  0.225850D+01
               191           192           193           194           195 
      1  -0.269615D+00  0.366550D+01  0.128874D+00 -0.102277D+01 -0.169778D+01
      2   0.119267D+01  0.789546D+01  0.348645D-02 -0.201980D+01 -0.861442D+00
      3  -0.347546D+01  0.516384D+00 -0.340731D-01  0.240634D+00  0.195295D+01
               196           197           198           199           200 
      1   0.390252D+01  0.550206D+00 -0.115977D+02  0.262298D+01 -0.143073D+01
      2   0.477543D+01 -0.554414D+01 -0.239782D+02  0.575488D+01 -0.440867D+01
      3   0.169882D+01  0.713040D+01  0.305700D+01  0.586319D+01 -0.918041D+01
               201           202           203           204           205 
      1   0.413693D+01 -0.291037D+01  0.280471D+01 -0.418994D+01  0.371026D+01
      2   0.750135D+01 -0.461877D+01  0.754624D+01 -0.652526D+01  0.669364D+01
      3   0.182024D+01 -0.421742D+01  0.134151D+02 -0.496567D+01  0.244844D+01
               206           207           208           209           210 
      1  -0.148274D+01  0.370817D+01 -0.180733D+01 -0.204424D+00 -0.214387D+01
      2  -0.720090D+01  0.715192D+01 -0.258419D+01 -0.790400D+00 -0.892502D+00
      3  -0.103027D+02  0.421696D+01  0.252118D+02  0.119960D+02  0.133686D+01
               211           212           213           214           215 
      1  -0.598331D+00  0.412285D+00 -0.182294D+01 -0.166033D+01  0.233768D+00
      2  -0.910117D+00  0.354095D+00 -0.983605D+00 -0.354571D+01 -0.194281D+01
      3   0.122405D+02  0.937036D+01 -0.267395D+00  0.159542D+01 -0.121695D+01
               216           217           218           219           220 
      1  -0.105981D+01  0.131986D+01 -0.783969D-01 -0.178611D+01  0.594899D+00
      2  -0.149035D+01 -0.109720D+02 -0.218636D+01  0.129848D+02 -0.173797D+01
      3   0.280651D+01  0.140794D+01 -0.424079D+01  0.748343D+00 -0.367917D+01
               221           222           223           224           225 
      1   0.435662D+00 -0.116266D+01 -0.219733D+01  0.156050D+01  0.393690D+01
      2  -0.249568D+01  0.144348D+01  0.162640D+02  0.361713D+01 -0.311113D+02
      3  -0.334940D+01  0.174945D+01  0.164319D+01  0.675424D+01 -0.894271D+00
               226           227           228           229           230 
      1   0.370324D+00  0.245530D+00 -0.322355D+00  0.736550D+00  0.344230D+01
      2   0.239507D+01 -0.106914D+00  0.239278D+01  0.171729D+01  0.123110D+02
      3  -0.439930D+01 -0.272579D+01 -0.189448D+00 -0.782026D+01 -0.393306D+02
               231           232           233           234           235 
      1  -0.246063D+01 -0.521665D+00  0.149855D+01 -0.612866D+00 -0.277323D+01
      2   0.101702D+02  0.448033D+01  0.857295D+01  0.629610D+01  0.954337D+01
      3  -0.124822D+02 -0.174777D+01 -0.138357D+02 -0.764410D+01  0.136312D+02
               236           237           238           239           240 
      1   0.211604D+01 -0.128150D+01  0.209049D+01 -0.264386D+01  0.657959D+00
      2  -0.379921D+01  0.121398D+02 -0.661402D+01  0.675667D+01 -0.863170D+01
      3  -0.105174D+02  0.654323D+01 -0.118753D+02  0.110803D+02 -0.872498D+01
               241           242           243           244           245 
      1  -0.216977D+01  0.315853D+01 -0.140580D+01 -0.187976D+01  0.219078D-01
      2   0.132819D+02 -0.451037D+01  0.121102D+02  0.590066D+01  0.137716D+01
      3   0.786762D+01 -0.105294D+02  0.690839D+01 -0.104977D+01 -0.267463D+01
               246           247           248           249           250 
      1  -0.109719D+01 -0.433373D+00 -0.193997D+00 -0.226237D+01 -0.115826D+01
      2   0.314454D+01  0.127650D+01  0.296672D+01  0.544774D+01  0.415942D+00
      3   0.240310D+00 -0.188256D+01 -0.402898D+01 -0.289801D+01  0.442484D+00
               251           252           253           254           255 
      1   0.139004D+01 -0.494031D+01  0.322165D+01 -0.339435D+01 -0.405461D+01
      2   0.473676D+01  0.156908D+02 -0.543224D+01 -0.431662D+01  0.687152D+01
      3  -0.440427D+01 -0.384498D+01  0.187350D+01 -0.187065D+02 -0.773910D-01
               256           257           258           259           260 
      1  -0.770708D+00  0.706716D+01 -0.656774D+01 -0.415604D+01 -0.125695D+01
      2  -0.623165D+01 -0.543718D+01  0.959054D+01  0.731284D+01  0.101955D+02
      3  -0.154937D+02  0.685247D+01  0.646394D+01  0.122573D+01  0.968627D+01
               261           262           263           264           265 
      1  -0.105978D+02 -0.224064D+01  0.262241D+01  0.985898D+00  0.362625D+01
      2   0.109736D+02  0.391685D+00  0.200944D-01  0.334988D+01  0.125091D+00
      3  -0.618326D+01  0.767917D+01 -0.101465D+02  0.257251D+01 -0.116924D+02
               266           267           268           269           270 
      1  -0.508264D+01 -0.138107D+01  0.465724D+00 -0.437024D+00 -0.893587D+00
      2   0.685196D+00 -0.515543D+01  0.126535D+01 -0.183225D+01  0.700461D+00
      3   0.216414D+02 -0.367864D+01 -0.286251D+01  0.397517D+01  0.143439D+01
               271           272           273           274           275 
      1  -0.244789D+01  0.263360D+01  0.320377D+01  0.189090D+01 -0.587069D+01
      2  -0.149771D+01  0.239419D+01 -0.145347D+01  0.184789D+01 -0.206750D+01
      3  -0.114189D+02  0.133764D+02  0.613817D-01  0.110580D+02 -0.225153D+02
               276           277           278           279           280 
      1  -0.339557D+01  0.201288D+01 -0.974196D+00 -0.973974D+00  0.241360D+01
      2   0.112713D+01 -0.217520D+01  0.900420D+00 -0.358069D+00 -0.389634D+01
      3  -0.375277D+00  0.219255D+01 -0.426607D+01 -0.258229D+01 -0.501778D+00
               281           282           283           284           285 
      1   0.136763D+01  0.183368D+01  0.128002D+01  0.309823D+01  0.258601D+01
      2  -0.264494D+00 -0.303562D+01 -0.212741D+01 -0.183793D+01 -0.433396D+01
      3   0.155305D+01 -0.139715D+01  0.198202D+01  0.128845D+01  0.775785D+00
               286           287           288           289           290 
      1   0.110284D+01  0.456808D+01  0.137766D+02 -0.104705D+01 -0.128861D+01
      2  -0.414228D+01 -0.621827D+00 -0.194883D+02  0.439643D+01  0.350057D+00
      3  -0.171623D+01  0.346786D+01 -0.471692D+00  0.626015D+01 -0.492323D+01
               291           292           293           294           295 
      1  -0.332337D+01 -0.136313D+01 -0.173140D+01 -0.116448D+01 -0.196789D+01
      2   0.598617D+01  0.182424D+01  0.101468D+01  0.127275D+01  0.203538D+01
      3   0.875335D+00 -0.322827D+00 -0.400760D+01 -0.721870D-01 -0.124906D+00
               296           297 
      1   0.218596D+00  0.123184D+01
      2   0.479149D+00 -0.140998D+01
      3  -0.114246D+01  0.871433D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.525994D+01 -0.441483D+01 -0.200764D+02  0.951155D+01 -0.121183D+02
      2  -0.467037D+00 -0.913082D+00  0.335002D+01 -0.121108D+00  0.190529D+02
      3   0.572697D+01  0.532791D+01  0.167264D+02 -0.939044D+01 -0.693464D+01
      4  -0.659305D+01 -0.342709D+01 -0.818357D+01  0.210315D+01 -0.832637D+00
      5  -0.185974D+02 -0.683979D+01  0.911087D+00 -0.741531D+01 -0.164699D+01
      6  -0.960144D+01 -0.724880D+00  0.336004D+00 -0.269697D+01  0.102062D+01
                 6             7             8             9            10 
      1  -0.403785D+01  0.266489D+02  0.117858D+02  0.146076D+02  0.524106D+02
      2   0.841297D+01 -0.617135D+01 -0.229558D+01 -0.611607D+01 -0.193755D+02
      3  -0.437512D+01 -0.204775D+02 -0.949027D+01 -0.849150D+01 -0.330351D+02
      4  -0.920668D+00  0.529689D+01  0.184799D+01 -0.359347D+01  0.458323D+01
      5  -0.715671D+01  0.139620D+02 -0.337645D+01 -0.445857D+01  0.769435D+01
      6   0.180506D+01 -0.511311D+01 -0.420861D+01 -0.110635D+02  0.619874D+00
                11            12            13            14            15 
      1   0.481302D+01  0.415216D+01  0.221227D+01 -0.219966D+01 -0.752065D+01
      2  -0.858539D+00  0.289787D+01  0.327229D+01  0.794378D+01  0.249943D+01
      3  -0.395448D+01 -0.705003D+01 -0.548456D+01 -0.574413D+01  0.502122D+01
      4   0.119999D+01  0.344782D+01  0.147225D+02  0.421090D+01 -0.271300D+00
      5   0.443948D+01  0.656190D+01 -0.958247D+01  0.394906D+00  0.210414D+01
      6   0.846427D+00  0.193814D+01 -0.798092D+01 -0.561458D+01  0.867871D+01
                16            17            18            19            20 
      1   0.100251D+02 -0.769247D+01 -0.185202D+02  0.424939D+01  0.113807D+02
      2  -0.604186D+01 -0.388452D+01  0.197671D+01  0.452004D+01 -0.790610D+01
      3  -0.398329D+01  0.115770D+02  0.165435D+02 -0.876943D+01 -0.347460D+01
      4  -0.122903D+02 -0.704916D+00 -0.195431D+01  0.210347D+01  0.566654D+01
      5  -0.146845D+02 -0.743922D+00 -0.155579D+01  0.185403D+02  0.316128D+01
      6  -0.387589D+01  0.204798D+01  0.586908D+01  0.708626D+01 -0.168361D+01
                21            22            23            24            25 
      1   0.207863D+02 -0.818927D+01 -0.212882D+01  0.161733D+02 -0.195002D+02
      2  -0.902298D+01 -0.257625D+01  0.532618D+01 -0.189114D+00  0.330794D+01
      3  -0.117633D+02  0.107655D+02 -0.319735D+01 -0.159842D+02  0.161922D+02
      4   0.452927D+01  0.749633D+01 -0.625929D+01 -0.581246D+00 -0.224755D+01
      5  -0.480440D+01  0.101340D+02  0.134316D+01  0.620557D+00  0.101446D+02
      6  -0.556658D+01  0.348581D+01 -0.574850D+00  0.411567D+01  0.125614D+02
                26            27            28            29            30 
      1   0.363728D+01  0.667973D+01  0.114797D+02  0.214392D+01 -0.318999D+01
      2  -0.479045D+00  0.907814D+00 -0.102302D+01  0.196285D+00 -0.992441D+00
      3  -0.315824D+01 -0.758754D+01 -0.104567D+02 -0.234020D+01  0.418243D+01
      4   0.273015D+00  0.712427D+01  0.586128D+01  0.345654D+01  0.892231D+00
      5   0.646782D+01  0.602134D+01 -0.151775D+01  0.896926D+00  0.748985D+01
      6   0.552786D+01 -0.731561D+01 -0.699718D+01  0.186847D+01  0.251143D+01
                31            32            33            34            35 
      1  -0.806091D+01 -0.190991D+01 -0.847677D+01  0.565415D+01 -0.590180D+01
      2   0.703635D+01  0.567262D+01  0.353421D+00 -0.680940D+01 -0.620387D+01
      3   0.102456D+01 -0.376271D+01  0.812335D+01  0.115525D+01  0.121057D+02
      4   0.175193D+02  0.506316D+00 -0.316958D+01 -0.116960D+02 -0.677887D+01
      5  -0.142054D+02 -0.292837D+01  0.278208D+01 -0.154310D+02 -0.755354D+00
      6  -0.226789D+01 -0.373391D+01  0.759790D+01 -0.727339D+01  0.132427D+01
                36            37            38            39            40 
      1  -0.227654D+02  0.911075D+01 -0.257729D+01 -0.250983D+02  0.545772D+01
      2   0.524105D+01 -0.833843D+01 -0.154028D+01  0.272382D+01  0.413497D+01
      3   0.175243D+02 -0.772324D+00  0.411758D+01  0.223745D+02 -0.959269D+01
      4  -0.113561D-01 -0.852069D+01 -0.492230D+01 -0.886748D+01  0.870513D+01
      5   0.134742D+01 -0.833436D+01 -0.614646D+01 -0.433873D+01 -0.495570D+01
      6   0.663531D+01 -0.596711D+01  0.133787D+00 -0.385416D+01 -0.239498D+01
                41            42            43            44            45 
      1  -0.105976D+02 -0.148364D+00  0.186334D+02  0.929044D+01  0.968745D+01
      2   0.139417D+02  0.797208D+01 -0.591346D+00  0.174601D+01 -0.600044D+01
      3  -0.334410D+01 -0.782372D+01 -0.180420D+02 -0.110365D+02 -0.368701D+01
      4   0.203324D+00 -0.992189D+00  0.591675D+00  0.436983D+01 -0.435565D+01
      5  -0.334873D+00 -0.112332D+02  0.795386D+01 -0.490068D+01 -0.320197D+01
      6   0.434955D+01  0.567924D+01 -0.749805D+01 -0.347667D+01 -0.127140D+02
                46            47            48            49            50 
      1  -0.647620D+01  0.789824D+01  0.205955D+02 -0.234452D+02 -0.474666D+01
      2   0.873643D+01 -0.326910D+01 -0.773908D+01  0.736423D+01  0.361886D+01
      3  -0.226023D+01 -0.462915D+01 -0.128564D+02  0.160809D+02  0.112780D+01
      4  -0.523735D+00  0.738394D+01  0.418601D+01  0.102036D+02 -0.408856D+01
      5   0.110421D+02  0.906454D+00 -0.953190D+01  0.466117D+01 -0.293823D+01
      6   0.418110D+01 -0.362531D+01 -0.752762D+01  0.901667D+00 -0.160117D+01
                51            52            53            54            55 
      1   0.206555D+02 -0.296273D+02  0.325057D+01 -0.356143D+00 -0.496342D+02
      2   0.842714D+00  0.467239D+01  0.493070D+00  0.323231D+01  0.214885D+02
      3  -0.214982D+02  0.249549D+02 -0.374364D+01 -0.287617D+01  0.281457D+02
      4  -0.773620D+00 -0.471653D+01 -0.101615D+01  0.563550D+01  0.922294D+01
      5   0.205308D+01  0.149958D+01  0.534533D+01  0.748085D+01 -0.867718D+01
      6   0.987275D+01  0.102380D+02  0.672771D+01 -0.104070D+02 -0.221843D+01
                56            57            58            59            60 
      1   0.102340D+02 -0.685729D+01  0.417030D+02 -0.231373D+01  0.120692D+02
      2  -0.608984D+01  0.536299D+00 -0.298842D+02 -0.155167D+02 -0.104059D+02
      3  -0.414417D+01  0.632099D+01 -0.118188D+02  0.178305D+02 -0.166328D+01
      4  -0.860447D+01  0.450109D+01 -0.261737D+02 -0.356600D+02 -0.111010D+02
      5   0.416588D+01 -0.145528D+02  0.109242D+02 -0.113353D+02 -0.103841D+01
      6   0.105865D+01 -0.346471D+01  0.244188D+00 -0.592415D+01 -0.852541D+00
                61            62            63            64            65 
      1  -0.326332D+02  0.968095D+01 -0.139545D+02 -0.111700D+02 -0.362106D+02
      2   0.808350D+01 -0.113804D+02  0.123350D+02  0.104429D+02  0.181179D+02
      3   0.245497D+02  0.169944D+01  0.161948D+01  0.727058D+00  0.180926D+02
      4   0.717656D+01 -0.158616D+02 -0.740981D+01 -0.395439D+02  0.555079D+01
      5  -0.309049D+02 -0.686129D+01  0.332531D+02 -0.401838D+01 -0.109564D+02
      6  -0.641662D+01 -0.325867D+01  0.848585D+01 -0.274543D+01 -0.224304D+01
                66            67            68            69            70 
      1  -0.851145D+01 -0.765467D+02  0.113834D+02 -0.135798D+02  0.113046D+02
      2   0.178237D-01  0.404434D+02 -0.703400D+01  0.583025D+01 -0.577954D+01
      3   0.849362D+01  0.361032D+02 -0.434944D+01  0.774958D+01 -0.552506D+01
      4  -0.977185D+01  0.130532D+02  0.337838D+02  0.151796D+02 -0.125276D+02
      5   0.223555D+02 -0.211177D+02  0.161937D+02 -0.163744D+01  0.399274D+02
      6  -0.126878D+01  0.200237D+01 -0.629446D+00  0.266736D+00 -0.109458D-01
                71            72            73            74            75 
      1  -0.885777D+01  0.422554D+02  0.363911D+02  0.328342D+02 -0.283867D+01
      2   0.252693D+01 -0.114740D+02 -0.291700D+02 -0.144239D+02 -0.368217D+01
      3   0.633084D+01 -0.307814D+02 -0.722105D+01 -0.184104D+02  0.652084D+01
      4   0.172002D+02 -0.806691D+00  0.279937D+02 -0.190907D+02  0.117235D+02
      5  -0.203147D+00 -0.422235D+02 -0.484231D+01  0.117593D+02 -0.232560D+02
      6   0.397801D+01  0.349947D+00  0.672424D+01 -0.437556D+01  0.109876D+02
                76            77            78            79            80 
      1   0.413792D+02 -0.165670D+02  0.612584D+01 -0.606635D+01  0.801654D+01
      2  -0.185165D+02  0.121688D+02  0.352334D+01 -0.541686D+01  0.395927D+01
      3  -0.228628D+02  0.439816D+01 -0.964918D+01  0.114832D+02 -0.119758D+02
      4  -0.226273D+02 -0.125471D+02 -0.230111D+02  0.150217D+02 -0.302185D+02
      5   0.146833D+02 -0.218705D+02  0.871087D+01 -0.335286D+02  0.139870D+02
      6  -0.761706D+01  0.115722D+02 -0.343115D+01  0.129241D+02 -0.685289D+01
                81            82            83            84            85 
      1  -0.258131D+02  0.255751D+02  0.423063D+02  0.169158D+01  0.606402D+02
      2   0.155817D+02 -0.769950D+01 -0.240711D+02  0.239436D+01 -0.360045D+02
      3   0.102314D+02 -0.178756D+02 -0.182352D+02 -0.408595D+01 -0.246357D+02
      4   0.205813D+02  0.454127D+02 -0.579594D+01  0.185464D+02 -0.191848D+02
      5   0.359693D+02 -0.166161D+01  0.204742D+02 -0.387108D+02  0.271044D+02
      6  -0.112249D+02  0.584045D+01 -0.875300D+00 -0.770028D+00 -0.499535D+01
                86            87            88            89            90 
      1  -0.668045D+01  0.268181D+02 -0.458235D+01  0.231959D+02 -0.519368D+02
      2  -0.117797D+01 -0.187976D+02  0.493947D+01 -0.165805D+02  0.259243D+02
      3   0.785842D+01 -0.802050D+01 -0.357120D+00 -0.661539D+01  0.260125D+02
      4  -0.462791D+02 -0.343499D+02  0.208003D+02 -0.324569D+02 -0.316531D+01
      5  -0.369048D+02  0.312987D+01 -0.570653D+02 -0.155488D+01  0.322591D+02
      6  -0.117217D+02 -0.693384D+01 -0.211037D+01 -0.693340D+01  0.496224D+01
                91            92            93            94            95 
      1   0.852833D+01  0.148812D+02 -0.691573D+01  0.281951D+02 -0.131767D+02
      2  -0.285926D+01 -0.109243D+02  0.454320D+01 -0.178721D+02  0.445338D+01
      3  -0.566906D+01 -0.395690D+01  0.237253D+01 -0.103229D+02  0.872336D+01
      4   0.103752D+02 -0.909600D+01  0.665703D+00 -0.367687D+02 -0.360318D+01
      5  -0.567103D+01  0.581178D+00 -0.547273D+01  0.730766D+01  0.620024D+01
      6   0.623969D-02  0.998219D+00 -0.514945D+01  0.499159D+01  0.664715D+01
                96            97            98            99           100 
      1  -0.185065D+01 -0.152654D+01 -0.343468D+01  0.179188D+01 -0.797153D+01
      2   0.370927D+01  0.700161D+01  0.985113D+01 -0.248012D+01  0.650748D+01
      3  -0.185862D+01 -0.547507D+01 -0.641645D+01  0.688234D+00  0.146405D+01
      4   0.622639D+01  0.852117D+01  0.145104D+02 -0.225858D+02  0.507408D+01
      5  -0.184505D+02 -0.127271D+02 -0.216072D+02 -0.219157D+02  0.155698D+02
      6  -0.893942D+01 -0.115580D+02 -0.114786D+02 -0.793390D+01 -0.101574D+01
               101           102           103           104           105 
      1  -0.395495D+01  0.989484D+01  0.855511D+01  0.152530D+02 -0.235357D+01
      2   0.359134D+01 -0.695419D+01 -0.891499D+01 -0.594019D+01  0.211094D+01
      3   0.363613D+00 -0.294065D+01  0.359876D+00 -0.931285D+01  0.242627D+00
      4   0.660232D+01 -0.949653D+00  0.134012D+02 -0.587742D+01 -0.311141D+00
      5  -0.304967D+00 -0.156796D+02 -0.191336D+01 -0.311627D-01  0.300149D+02
      6   0.302976D+00  0.819144D+01 -0.208763D+01  0.225667D+01 -0.713347D+01
               106           107           108           109           110 
      1   0.281121D+02 -0.759261D+01 -0.148934D+02  0.456461D+02 -0.936294D+01
      2  -0.129283D+02  0.294078D-01  0.142034D+02 -0.261300D+02  0.400965D+01
      3  -0.151838D+02  0.756320D+01  0.690060D+00 -0.195162D+02  0.535329D+01
      4  -0.146866D+02  0.126475D+02  0.196310D+02 -0.158437D+02  0.131149D+02
      5  -0.340562D+02  0.196961D+02  0.291573D+02 -0.371164D+02  0.304612D+01
      6   0.107558D+02 -0.132994D+02 -0.527512D+01  0.711980D+01 -0.324473D+01
               111           112           113           114           115 
      1  -0.269175D+02 -0.144645D+02  0.174002D+01 -0.171631D+00 -0.493569D+02
      2   0.178695D+02  0.468468D+01  0.381161D+01 -0.507389D+00  0.285479D+02
      3   0.904792D+01  0.977985D+01 -0.555163D+01  0.679021D+00  0.208090D+02
      4   0.553143D+01  0.198687D+02 -0.173236D+02 -0.175914D+02  0.200888D+02
      5   0.305453D+02  0.917217D+01 -0.182015D+02 -0.201753D+02  0.452656D+02
      6  -0.586698D+01 -0.389767D+01  0.869467D+01  0.145156D+02 -0.724707D+01
               116           117           118           119           120 
      1   0.539579D+01  0.122763D+02  0.384014D+01  0.803089D+01  0.140514D+02
      2  -0.149944D+01 -0.233524D+02 -0.104386D+02  0.323739D+01 -0.996877D+01
      3  -0.389635D+01  0.110761D+02  0.659841D+01 -0.112683D+02 -0.408263D+01
      4  -0.283084D+02 -0.131527D+02  0.156023D+02 -0.204110D+02 -0.835567D+00
      5  -0.129472D+02 -0.760281D+02  0.126252D+02  0.253524D+01  0.101972D+02
      6   0.146369D+02  0.196732D+02 -0.677295D+00 -0.168368D+01 -0.108487D+01
               121           122           123           124           125 
      1   0.156122D+02 -0.267816D+02  0.690134D+01  0.271299D+02  0.254937D+00
      2   0.160220D+01  0.774659D+01 -0.445973D+01 -0.153869D+02 -0.291867D+01
      3  -0.172144D+02  0.190350D+02 -0.244161D+01 -0.117430D+02  0.266373D+01
      4  -0.244436D+02  0.292686D+02  0.686262D+01 -0.157157D+02  0.196253D+02
      5   0.508927D+00  0.638647D+01 -0.601103D+01  0.283996D+02 -0.168648D+02
      6  -0.123719D+01 -0.480626D+01  0.883637D+01 -0.748646D+01  0.143659D+02
               126           127           128           129           130 
      1   0.366190D+01  0.555313D+00 -0.278082D+01 -0.207892D+01 -0.629355D+00
      2  -0.129167D+02 -0.104207D+01  0.255960D+01 -0.132960D+00 -0.134488D+00
      3   0.925478D+01  0.486756D+00  0.221222D+00  0.221188D+01  0.763843D+00
      4  -0.142210D+02  0.419193D+01  0.437975D+01  0.432354D+01  0.408262D+01
      5   0.412242D+02  0.744625D+01  0.461387D+01  0.824722D+01  0.598513D+01
      6  -0.142404D+02  0.516086D+01  0.443477D+01  0.579313D+01  0.460947D+01
               131           132           133           134           135 
      1  -0.716112D+01 -0.811209D+01 -0.305104D+01 -0.109772D+02 -0.185359D+02
      2   0.425662D+01  0.111922D+01 -0.138290D+01  0.481564D+01 -0.459883D+00
      3   0.290450D+01  0.699288D+01  0.443394D+01  0.616158D+01  0.189958D+02
      4   0.491909D+01  0.379509D+01  0.416055D+01  0.414376D+01  0.480617D+01
      5   0.541046D+01  0.794977D+01  0.944181D+01  0.634870D+01  0.139135D+02
      6   0.869268D+01  0.996345D+01  0.635861D+01  0.123216D+02  0.169757D+02
               136           137           138           139           140 
      1   0.253618D+01  0.266827D+00  0.234663D+01  0.972490D+00 -0.241957D+01
      2  -0.487113D+01  0.148092D+00  0.346057D+01  0.683480D+00  0.343457D+00
      3   0.233494D+01 -0.414919D+00 -0.580720D+01 -0.165597D+01  0.207611D+01
      4  -0.371848D+01  0.264113D+01  0.224330D+01  0.204628D+01 -0.175548D+01
      5  -0.868286D+01  0.129313D+01  0.878693D+01  0.224410D+01 -0.234575D+01
      6   0.899971D+00 -0.201301D+01 -0.121397D+01 -0.170885D+01  0.253227D+01
               141           142           143           144           145 
      1  -0.462302D+01  0.285619D+01 -0.347759D+01 -0.135254D+02 -0.264895D+01
      2  -0.798409D+00  0.419547D+01  0.525228D+00 -0.694000D+01 -0.231250D+01
      3   0.542143D+01 -0.705166D+01  0.295236D+01  0.204654D+02  0.496145D+01
      4  -0.230479D+01  0.455777D+01 -0.440074D+01 -0.597669D+01  0.429689D+01
      5  -0.236492D+01  0.113531D+02 -0.292822D+01 -0.149426D+02  0.968896D+01
      6   0.358866D+01 -0.340681D+01  0.549129D+01  0.667125D+01  0.573539D+01
               146           147           148           149           150 
      1  -0.341161D+01 -0.501631D+01 -0.380020D+01 -0.749623D+01 -0.118814D+02
      2   0.924510D+00 -0.208562D+01 -0.108290D+01  0.161204D+01 -0.159173D+01
      3   0.248710D+01  0.710193D+01  0.488310D+01  0.588420D+01  0.134731D+02
      4   0.413331D+01  0.390476D+01  0.302044D+01  0.360099D+01  0.309830D+01
      5   0.551522D+01  0.112967D+02  0.652484D+01  0.527444D+01  0.934043D+01
      6   0.516185D+01  0.657196D+01  0.446355D+01  0.826213D+01  0.103415D+02
               151           152           153           154           155 
      1  -0.677215D+01 -0.120221D+02 -0.253163D+02  0.398882D+00 -0.495338D+00
      2  -0.274575D+01  0.134271D+01 -0.702785D+01 -0.826426D+01  0.972573D+00
      3   0.951790D+01  0.106794D+02  0.323441D+02  0.786538D+01 -0.477236D+00
      4   0.379918D+01  0.371829D+01  0.389014D+01 -0.358599D+01  0.296024D+01
      5   0.108521D+02  0.682705D+01  0.170455D+02 -0.152830D+02  0.197946D+01
      6   0.672678D+01  0.129383D+02  0.185919D+02  0.773422D+00 -0.272033D+01
               156           157           158           159           160 
      1   0.443657D+01  0.347009D+01 -0.219227D+01 -0.611029D+01  0.337495D+01
      2   0.852219D+01  0.170655D-01 -0.298163D+00 -0.248449D+01  0.919905D+01
      3  -0.129588D+02 -0.348716D+01  0.249043D+01  0.859478D+01 -0.125740D+02
      4   0.290180D+01  0.134364D+01 -0.124621D+01 -0.278001D+01  0.467428D+01
      5   0.163237D+02  0.214112D+01 -0.284656D+01 -0.377797D+01  0.166544D+02
      6  -0.320801D+00 -0.187256D+01  0.240027D+01  0.366294D+01 -0.300557D+01
               161           162           163           164           165 
      1  -0.320545D+01 -0.200397D+02  0.141351D+02 -0.814562D+00 -0.697526D+01
      2  -0.104367D+01 -0.152069D+02 -0.107810D+02  0.724954D+00  0.590717D+01
      3   0.424913D+01  0.352466D+02 -0.335407D+01  0.896075D-01  0.106808D+01
      4  -0.422640D+01 -0.591827D+01  0.293042D+01  0.686832D+01 -0.573343D+01
      5  -0.392050D+01 -0.244445D+02 -0.148319D+02 -0.506014D+01  0.171640D+02
      6   0.599935D+01  0.577543D+01 -0.352864D+01 -0.236263D+01  0.389789D+01
               166           167           168           169           170 
      1  -0.858488D+01 -0.903881D+00  0.640730D+00 -0.148814D+02  0.114330D+01
      2   0.476023D+01  0.154576D+01 -0.591622D+00  0.120766D+02  0.328099D+00
      3   0.382465D+01 -0.641881D+00 -0.491074D-01  0.280487D+01 -0.147140D+01
      4   0.550078D+01  0.559163D+01 -0.481102D+01 -0.809972D+01 -0.899509D+01
      5  -0.191472D+01 -0.521237D+01  0.943642D+00  0.210863D+02  0.103607D+02
      6  -0.208022D+01 -0.203770D+01  0.511635D+01  0.630043D+01  0.751499D+01
               171           172           173           174           175 
      1  -0.406555D+01  0.766104D+01  0.616451D+01  0.353149D+01  0.912826D+01
      2  -0.111385D+02  0.583437D+00 -0.100353D+01 -0.113693D+01  0.423657D+01
      3   0.152040D+02 -0.824448D+01 -0.516099D+01 -0.239456D+01 -0.133648D+02
      4   0.103158D+02  0.946366D+01  0.123271D+02  0.653562D+00  0.234258D+02
      5  -0.414229D+02  0.436620D+01  0.444210D-01  0.383132D+01  0.155661D+01
      6  -0.138901D+02  0.157095D+01 -0.447678D-01  0.677968D+00  0.114503D+01
               176           177           178           179           180 
      1  -0.161769D+02 -0.154848D+01  0.166571D+02 -0.364189D+01  0.154612D+00
      2   0.365307D+02  0.412768D+01 -0.446618D+01  0.808183D+01  0.159065D+01
      3  -0.203538D+02 -0.257919D+01 -0.121910D+02 -0.443994D+01 -0.174527D+01
      4   0.510762D+02  0.600224D+01  0.675919D+01  0.147864D+02  0.772819D+01
      5   0.545219D+01  0.581663D+01  0.864431D+01  0.749596D+01  0.234733D+01
      6   0.292459D+01  0.548935D+01  0.304383D+01  0.686060D+01  0.271942D+01
               181           182           183           184           185 
      1  -0.128529D+02  0.474946D+01  0.136945D+02  0.100213D+02 -0.740876D+01
      2   0.220884D+01 -0.225393D+01 -0.249967D+01 -0.491116D+01  0.299531D+01
      3   0.106441D+02 -0.249552D+01 -0.111948D+02 -0.511011D+01  0.441344D+01
      4   0.551625D+01 -0.230787D+01  0.171852D+01  0.137801D+00 -0.478947D+01
      5   0.677074D+01  0.160361D+01 -0.576575D+01  0.136657D+01  0.361533D+01
      6  -0.381226D+00 -0.652151D+00  0.352345D+00 -0.116583D+01 -0.157529D+00
               186           187           188           189           190 
      1   0.234210D+01  0.216599D+02  0.327250D+01 -0.275581D+02  0.118870D+02
      2  -0.107236D+01 -0.796997D+01 -0.181639D+01 -0.709520D+01 -0.631901D+01
      3  -0.126974D+01 -0.136899D+02 -0.145611D+01  0.346533D+02 -0.556797D+01
      4   0.400019D+01  0.251758D+01  0.701553D+01  0.609787D-01 -0.105940D+02
      5  -0.599106D+00 -0.168867D+01  0.382454D+00  0.448922D+02 -0.148921D+02
      6   0.630365D+01  0.233038D+00  0.389588D+01 -0.127020D+01  0.385980D+01
               191           192           193           194           195 
      1  -0.535556D+01 -0.111504D+02 -0.111428D+01  0.179892D+01 -0.205970D+01
      2   0.865385D+00  0.803138D+01 -0.827965D+00 -0.512343D+00  0.233178D+01
      3   0.449018D+01  0.311902D+01  0.194225D+01 -0.128658D+01 -0.272073D+00
      4   0.108981D+02  0.600431D+01  0.696376D+01 -0.331769D+01 -0.532933D+01
      5   0.353743D+01  0.193780D+02 -0.944273D-01 -0.528955D+01 -0.247271D+01
      6  -0.168534D+01 -0.635176D+01 -0.153035D+01  0.190346D+01  0.583943D+01
               196           197           198           199           200 
      1  -0.185595D+02 -0.107748D+01  0.761691D+01  0.303084D+02 -0.185480D+02
      2   0.121699D+02  0.313637D+01 -0.137632D+02 -0.733903D+01  0.553542D-02
      3   0.638952D+01 -0.205890D+01  0.614629D+01 -0.229693D+02  0.185424D+02
      4   0.109773D+02 -0.152476D+02 -0.172697D+02 -0.367360D+02  0.346600D+02
      5   0.239776D+02 -0.132607D+02 -0.527157D+02  0.149735D+02 -0.991762D+01
      6  -0.836714D+01  0.870091D+01  0.198593D+02 -0.734034D+01  0.631873D+01
               201           202           203           204           205 
      1   0.102740D+02 -0.184612D+02  0.960496D+01 -0.362374D+01  0.183507D+02
      2  -0.273894D+01 -0.112640D-01  0.110257D+02 -0.321445D+01 -0.561948D+01
      3  -0.753502D+01  0.184725D+02 -0.206306D+02  0.683819D+01 -0.127312D+02
      4  -0.126176D+02  0.348465D+02 -0.428055D+02  0.176322D+02 -0.223510D+02
      5   0.150047D+02 -0.110450D+02  0.156864D+02 -0.121201D+02  0.194340D+02
      6  -0.744609D+01  0.738234D+01 -0.109203D+02  0.871915D+01 -0.949973D+01
               206           207           208           209           210 
      1  -0.546514D+01  0.886413D+01 -0.535755D+02 -0.228046D+02 -0.130346D+01
      2  -0.478093D+01 -0.378087D+01  0.313493D+02  0.203063D+02  0.108978D+01
      3   0.102461D+02 -0.508326D+01  0.222261D+02  0.249832D+01  0.213683D+00
      4   0.291452D+02 -0.185033D+02  0.570646D+01 -0.100898D+02 -0.171643D+01
      5  -0.155297D+02  0.157944D+02 -0.168572D+01 -0.239545D+01 -0.174577D+01
      6   0.109038D+02 -0.961497D+01 -0.134990D+01 -0.383850D+00  0.269934D+01
               211           212           213           214           215 
      1  -0.192687D+02 -0.185510D+02 -0.110000D+01 -0.179460D+01 -0.163147D+00
      2   0.154056D+02  0.174777D+02  0.170411D-01  0.166997D+01 -0.282920D+00
      3   0.386303D+01  0.107328D+01  0.108296D+01  0.124624D+00  0.446067D+00
      4  -0.613458D+00 -0.613223D+01  0.166144D+01 -0.752781D+00  0.312687D+01
      5  -0.136463D+01  0.106900D+01 -0.235582D+01  0.210503D+01 -0.375131D+01
      6   0.645709D+00 -0.605950D+00  0.316455D+01  0.136455D+01  0.402440D+01
               216           217           218           219           220 
      1  -0.362090D+01  0.380942D+02  0.124987D+01 -0.224600D+02 -0.421571D+01
      2   0.165891D+01 -0.203743D+02  0.241244D+00  0.109916D+02  0.354845D+01
      3   0.196199D+01 -0.177199D+02 -0.149111D+01  0.114683D+02  0.667255D+00
      4  -0.368296D+01  0.304278D+01  0.800746D+01 -0.546340D+01  0.117710D+02
      5  -0.375382D+01 -0.221178D+02 -0.478967D+01  0.254212D+02 -0.410562D+01
      6   0.918098D+00 -0.297096D+01 -0.447365D+00  0.262977D+01 -0.117013D+01
               221           222           223           224           225 
      1   0.704643D+01 -0.386514D+01 -0.532490D+02 -0.920618D+01  0.321786D+02
      2  -0.225748D+01  0.169424D+01  0.275702D+02  0.382006D+01 -0.202217D+02
      3  -0.478895D+01  0.217090D+01  0.256788D+02  0.538613D+01 -0.119569D+02
      4   0.825248D+01 -0.528227D+01 -0.122642D+02 -0.139231D+02  0.733692D+01
      5  -0.474216D+01  0.232377D+01  0.396572D+02  0.690962D+01 -0.589967D+02
      6   0.166424D+00  0.386652D+01  0.374783D+01  0.399452D+01 -0.712845D+01
               226           227           228           229           230 
      1   0.200905D+01  0.901941D+01  0.487563D+01  0.233817D+02  0.495736D+01
      2   0.485992D+00 -0.360768D+01 -0.230320D+01 -0.813083D+01  0.131239D+02
      3  -0.249504D+01 -0.541173D+01 -0.257242D+01 -0.152509D+02 -0.180813D+02
      4   0.826002D+01  0.955958D+01  0.208070D+01  0.314541D+02  0.780600D+02
      5   0.480411D+01  0.237062D+01  0.616726D+01  0.101291D+02  0.262840D+02
      6   0.241106D+01  0.883717D+00  0.336246D+00  0.551056D+01  0.167488D+02
               231           232           233           234           235 
      1  -0.675502D+00  0.115381D+02 -0.162416D+01  0.602988D+01  0.764162D+02
      2   0.197742D+01 -0.618345D+01  0.275641D+01 -0.413098D+01 -0.437020D+02
      3  -0.130192D+01 -0.535464D+01 -0.113226D+01 -0.189890D+01 -0.327142D+02
      4   0.250684D+02  0.828739D+01  0.265298D+02  0.164418D+02 -0.222308D+02
      5   0.199736D+02  0.159340D+02  0.171462D+02  0.138526D+02  0.362761D+02
      6   0.106600D+02  0.334424D+01  0.105501D+02  0.702096D+01 -0.315491D+01
               236           237           238           239           240 
      1  -0.223986D+02  0.277741D+02 -0.536625D+02  0.176398D+02 -0.172405D+02
      2   0.130433D+02 -0.183435D+02  0.300300D+02 -0.873178D+01  0.124984D+02
      3   0.935529D+01 -0.943057D+01  0.236325D+02 -0.890802D+01  0.474212D+01
      4   0.172574D+02 -0.102822D+02  0.249654D+02 -0.200149D+02  0.161704D+02
      5  -0.121000D+02  0.290145D+02 -0.248637D+02  0.171031D+02 -0.201039D+02
      6   0.227679D+01 -0.629556D+00  0.445253D+01 -0.368153D+01  0.414773D+01
               241           242           243           244           245 
      1   0.451589D+02 -0.107296D+02  0.283912D+02  0.239476D+01  0.573603D+00
      2  -0.291945D+02  0.842716D+01 -0.219942D+02 -0.322740D+01  0.104137D+00
      3  -0.159644D+02  0.230248D+01 -0.639697D+01  0.832644D+00 -0.677741D+00
      4  -0.124716D+02  0.181186D+02 -0.104829D+02  0.475175D+01  0.695367D+01
      5   0.417852D+02 -0.116494D+02  0.310802D+02  0.128231D+02  0.385436D+01
      6  -0.176439D+01  0.475257D+01 -0.300064D+01  0.563600D+01  0.140629D+01
               246           247           248           249           250 
      1   0.785183D+01 -0.176636D+00 -0.775761D+00 -0.135963D+01  0.107041D+02
      2  -0.477812D+01  0.127104D+01  0.283548D+01  0.140573D+01 -0.756087D+01
      3  -0.307371D+01 -0.109440D+01 -0.205972D+01 -0.461003D-01 -0.314323D+01
      4   0.429353D+01  0.104182D+02  0.109847D+02  0.787657D+01  0.616168D+01
      5   0.106043D+02  0.494649D+01  0.827041D+01  0.114623D+02  0.154864D+02
      6   0.304543D+01  0.287131D+01  0.589581D+01  0.866004D+01  0.498185D+01
               251           252           253           254           255 
      1  -0.326786D+01 -0.370173D+01 -0.401515D+02 -0.436074D+02  0.685176D+01
      2   0.161774D+01 -0.663457D+01  0.271119D+01  0.311387D+02  0.190081D+01
      3   0.165012D+01  0.103363D+02  0.374403D+02  0.124687D+02 -0.875257D+01
      4   0.118313D+02  0.120651D+02 -0.540612D+02 -0.868955D+01  0.553460D+01
      5   0.116307D+02  0.344817D+02  0.115964D+02  0.913143D+01  0.572636D+01
      6   0.829236D+01  0.152500D+02  0.562156D+01  0.265240D+00  0.316538D+01
               256           257           258           259           260 
      1  -0.344316D+02  0.133193D+02  0.119097D+02 -0.215393D+01  0.131511D+02
      2   0.276396D+02 -0.165526D+02 -0.490775D+01  0.216446D+01 -0.117074D+02
      3   0.679199D+01  0.323340D+01 -0.700197D+01 -0.105240D-01 -0.144366D+01
      4   0.497223D+01  0.624618D+01 -0.922890D+01 -0.504383D+01 -0.160232D+02
      5   0.193223D+01 -0.140886D+02  0.146090D+02  0.137921D+02  0.149738D+02
      6  -0.578899D+01 -0.897002D+01  0.125537D+02  0.996227D+01  0.150817D+02
               261           262           263           264           265 
      1   0.893704D+01  0.301559D+02 -0.215777D+02  0.503465D+01 -0.250480D+02
      2   0.134522D+02 -0.787537D+01  0.371777D+01 -0.187331D+01  0.167821D+01
      3  -0.223893D+02 -0.222805D+02  0.178599D+02 -0.316134D+01  0.233698D+02
      4   0.200477D+02 -0.326691D+02  0.309860D+02 -0.631605D+01  0.421075D+02
      5   0.137023D+02  0.107826D+02 -0.762243D+01  0.801402D+01 -0.104808D+02
      6   0.395690D+01 -0.413909D+01  0.402834D+01 -0.230823D+01  0.515256D+01
               266           267           268           269           270 
      1   0.192735D+02 -0.380634D+01 -0.667954D+01  0.622854D+01  0.136753D+01
      2   0.756400D+01  0.639252D+00 -0.522947D+00  0.137186D+01 -0.222228D+00
      3  -0.268375D+02  0.316709D+01  0.720249D+01 -0.760040D+01 -0.114530D+01
      4  -0.547339D+02  0.100112D+02  0.946065D+01 -0.105731D+02 -0.428027D+01
      5   0.119730D+02 -0.111501D+02  0.414254D+01 -0.381651D+01  0.325600D+01
      6  -0.789400D+01  0.485527D+01 -0.182582D+01  0.284615D+01 -0.119821D+01
               271           272           273           274           275 
      1  -0.120595D+02  0.255140D+02 -0.161931D+01  0.175146D+02 -0.357195D+02
      2   0.142614D+02 -0.284780D+02 -0.198337D+00 -0.158541D+02  0.498916D+02
      3  -0.220188D+01  0.296396D+01  0.181765D+01 -0.166045D+01 -0.141721D+02
      4   0.152771D+01 -0.530501D+01  0.121350D+01  0.410404D+01  0.212308D+02
      5   0.275385D+01 -0.253616D+01 -0.321544D+01 -0.373015D+01  0.407266D+01
      6  -0.103952D+01  0.401839D+01 -0.486677D+01  0.116945D+01 -0.601902D+01
               276           277           278           279           280 
      1   0.195146D+00  0.339254D+01 -0.539559D+01 -0.633472D+01  0.792449D+00
      2   0.658080D+00 -0.246869D+01  0.872173D+01  0.420488D+01 -0.196290D+01
      3  -0.853226D+00 -0.923849D+00 -0.332615D+01  0.212984D+01  0.117045D+01
      4  -0.249124D+00  0.202657D+01  0.669825D+01 -0.689132D+00  0.238781D+01
      5   0.275789D+01 -0.176858D+01  0.185709D+01  0.749761D+00 -0.353001D+01
      6   0.578697D+01 -0.297067D+01  0.452297D+01  0.104609D+01 -0.184218D+01
               281           282           283           284           285 
      1   0.455712D+01 -0.753411D+01 -0.608103D+00 -0.338454D+01 -0.256220D+01
      2  -0.420915D+01  0.924102D+00 -0.125354D+01 -0.367003D+00 -0.349512D+01
      3  -0.347972D+00  0.661000D+01  0.186164D+01  0.375154D+01  0.605732D+01
      4  -0.241535D+00 -0.213368D+01 -0.228225D+01 -0.534301D+01 -0.163298D+01
      5  -0.173106D+00 -0.725764D+00  0.164210D+01 -0.664127D+00 -0.721930D+01
      6   0.158938D+01 -0.287430D+01  0.130997D+01  0.162839D+01 -0.925193D+00
               286           287           288           289           290 
      1  -0.871240D+01  0.191687D+01 -0.180062D+02  0.755033D+02  0.238670D+02
      2   0.336656D+01 -0.548584D+01 -0.142116D+02 -0.238626D+02 -0.440949D+00
      3   0.534584D+01  0.356898D+01  0.322177D+02 -0.516406D+02 -0.234260D+02
      4  -0.585007D+01 -0.831041D+01 -0.281277D+01  0.654432D+02  0.388307D+02
      5   0.559205D+01  0.522965D+00 -0.321026D+02 -0.206450D+02 -0.997842D+01
      6   0.527467D+00  0.492245D+01 -0.192107D+02 -0.827759D+01 -0.682648D+01
               291           292           293           294           295 
      1  -0.510148D+01  0.168683D+02  0.908890D+01 -0.184977D+01  0.846580D+00
      2   0.219052D+01  0.456902D+00  0.605826D+01  0.244576D+00  0.117612D+01
      3   0.291096D+01 -0.173252D+02 -0.151472D+02  0.160520D+01 -0.202270D+01
      4  -0.893557D+01  0.300695D+02  0.238015D+02 -0.324432D+01 -0.165754D+00
      5   0.133140D+02 -0.617527D+01 -0.334859D+01  0.327412D+01  0.109732D+02
      6   0.743056D+01 -0.419682D+01 -0.371445D+01  0.268355D+01  0.548698D+01
               296           297 
      1  -0.121378D+01  0.540728D+01
      2   0.208247D+01 -0.417836D+01
      3  -0.868683D+00 -0.122892D+01
      4   0.145669D+01  0.520701D+01
      5   0.384697D+01 -0.441696D+01
      6   0.274230D+01 -0.218398D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 14:19:39 2021, MaxMem=  6442450944 cpu:           48758.2 elap:            6099.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31878 -19.26153 -10.44063 -10.32584 -10.31557
 Alpha  occ. eigenvalues --  -10.30897 -10.30410 -10.30364 -10.30218 -10.30131
 Alpha  occ. eigenvalues --  -10.30127 -10.29747 -10.29576 -10.28649 -10.28284
 Alpha  occ. eigenvalues --   -1.20943  -1.11655  -0.96764  -0.92110  -0.89536
 Alpha  occ. eigenvalues --   -0.84360  -0.84013  -0.77919  -0.77608  -0.76462
 Alpha  occ. eigenvalues --   -0.70779  -0.69650  -0.66463  -0.65142  -0.60711
 Alpha  occ. eigenvalues --   -0.60004  -0.58017  -0.56121  -0.55712  -0.53964
 Alpha  occ. eigenvalues --   -0.53642  -0.52993  -0.51549  -0.50923  -0.50487
 Alpha  occ. eigenvalues --   -0.50281  -0.47488  -0.46927  -0.46458  -0.45713
 Alpha  occ. eigenvalues --   -0.45215  -0.44577  -0.43237  -0.42450  -0.41865
 Alpha  occ. eigenvalues --   -0.41460  -0.40831  -0.40418  -0.37296  -0.33579
 Alpha  occ. eigenvalues --   -0.31846
 Alpha virt. eigenvalues --    0.04450   0.05121   0.07613   0.08096   0.08802
 Alpha virt. eigenvalues --    0.09962   0.10526   0.11221   0.11925   0.12313
 Alpha virt. eigenvalues --    0.13613   0.13949   0.14967   0.15477   0.15734
 Alpha virt. eigenvalues --    0.16468   0.16640   0.17205   0.17670   0.18632
 Alpha virt. eigenvalues --    0.19015   0.19262   0.20028   0.20738   0.20890
 Alpha virt. eigenvalues --    0.21330   0.21569   0.22018   0.22153   0.22719
 Alpha virt. eigenvalues --    0.23077   0.23333   0.23800   0.24302   0.25033
 Alpha virt. eigenvalues --    0.25600   0.25931   0.27036   0.27376   0.27678
 Alpha virt. eigenvalues --    0.28177   0.28773   0.29127   0.29966   0.30090
 Alpha virt. eigenvalues --    0.31065   0.31183   0.31551   0.31884   0.32618
 Alpha virt. eigenvalues --    0.32892   0.33605   0.34132   0.34688   0.35628
 Alpha virt. eigenvalues --    0.35866   0.36080   0.36249   0.36941   0.37318
 Alpha virt. eigenvalues --    0.37530   0.37893   0.37976   0.38891   0.38984
 Alpha virt. eigenvalues --    0.39398   0.39892   0.40304   0.40645   0.41116
 Alpha virt. eigenvalues --    0.41322   0.41573   0.41769   0.42135   0.42384
 Alpha virt. eigenvalues --    0.42843   0.43011   0.43228   0.43712   0.44130
 Alpha virt. eigenvalues --    0.44626   0.44790   0.45113   0.45271   0.45512
 Alpha virt. eigenvalues --    0.46038   0.46580   0.46694   0.46920   0.47127
 Alpha virt. eigenvalues --    0.47262   0.47591   0.48770   0.49036   0.49572
 Alpha virt. eigenvalues --    0.49829   0.50265   0.50324   0.50760   0.51327
 Alpha virt. eigenvalues --    0.51760   0.52068   0.52623   0.52778   0.53268
 Alpha virt. eigenvalues --    0.53783   0.53988   0.54107   0.54549   0.54801
 Alpha virt. eigenvalues --    0.55430   0.55891   0.56342   0.57026   0.57186
 Alpha virt. eigenvalues --    0.57384   0.57880   0.58526   0.58824   0.59098
 Alpha virt. eigenvalues --    0.59477   0.59884   0.60001   0.60862   0.61126
 Alpha virt. eigenvalues --    0.61628   0.61999   0.62734   0.62912   0.63494
 Alpha virt. eigenvalues --    0.63780   0.64381   0.64856   0.65127   0.65858
 Alpha virt. eigenvalues --    0.65937   0.66294   0.66813   0.67133   0.67818
 Alpha virt. eigenvalues --    0.68208   0.69137   0.69681   0.69818   0.70293
 Alpha virt. eigenvalues --    0.70660   0.70934   0.71536   0.71715   0.72223
 Alpha virt. eigenvalues --    0.72999   0.73518   0.74511   0.75122   0.75669
 Alpha virt. eigenvalues --    0.76049   0.76853   0.77162   0.77805   0.78109
 Alpha virt. eigenvalues --    0.78839   0.79431   0.80353   0.80595   0.81254
 Alpha virt. eigenvalues --    0.82202   0.82646   0.83239   0.83470   0.83695
 Alpha virt. eigenvalues --    0.85261   0.85663   0.86026   0.86968   0.87729
 Alpha virt. eigenvalues --    0.88634   0.90109   0.90862   0.91211   0.92073
 Alpha virt. eigenvalues --    0.92482   0.94184   0.94899   0.95206   0.96830
 Alpha virt. eigenvalues --    0.97530   0.97627   0.99082   1.00307   1.01663
 Alpha virt. eigenvalues --    1.02328   1.03810   1.04165   1.05077   1.06104
 Alpha virt. eigenvalues --    1.07152   1.07880   1.08392   1.09560   1.09907
 Alpha virt. eigenvalues --    1.10438   1.10860   1.11556   1.12005   1.12777
 Alpha virt. eigenvalues --    1.13325   1.13703   1.14919   1.15129   1.15552
 Alpha virt. eigenvalues --    1.16114   1.17299   1.17852   1.18393   1.20795
 Alpha virt. eigenvalues --    1.21908   1.24146   1.25560   1.26483   1.27123
 Alpha virt. eigenvalues --    1.27607   1.28256   1.28847   1.30603   1.30826
 Alpha virt. eigenvalues --    1.32153   1.33067   1.33874   1.34247   1.35261
 Alpha virt. eigenvalues --    1.37009   1.37836   1.38837   1.40196   1.40885
 Alpha virt. eigenvalues --    1.42237   1.42919   1.43198   1.44632   1.45364
 Alpha virt. eigenvalues --    1.46232   1.47165   1.47827   1.49565   1.51141
 Alpha virt. eigenvalues --    1.52171   1.53687   1.53920   1.54418   1.57810
 Alpha virt. eigenvalues --    1.59219   1.60035   1.60805   1.63382   1.63878
 Alpha virt. eigenvalues --    1.65519   1.66202   1.69139   1.69584   1.71517
 Alpha virt. eigenvalues --    1.72456   1.73361   1.75359   1.75435   1.75620
 Alpha virt. eigenvalues --    1.78422   1.79619   1.79857   1.81972   1.83618
 Alpha virt. eigenvalues --    1.83876   1.84526   1.84958   1.85993   1.86802
 Alpha virt. eigenvalues --    1.87665   1.89063   1.90228   1.91128   1.92292
 Alpha virt. eigenvalues --    1.93098   1.93599   1.94426   1.96109   1.97601
 Alpha virt. eigenvalues --    1.98574   1.98874   1.99766   2.00512   2.01841
 Alpha virt. eigenvalues --    2.02383   2.03564   2.04435   2.05232   2.06538
 Alpha virt. eigenvalues --    2.07778   2.09210   2.09950   2.10840   2.11720
 Alpha virt. eigenvalues --    2.12989   2.14225   2.15183   2.15535   2.16655
 Alpha virt. eigenvalues --    2.17070   2.17841   2.18652   2.19652   2.20817
 Alpha virt. eigenvalues --    2.21421   2.22202   2.23513   2.24645   2.25694
 Alpha virt. eigenvalues --    2.26579   2.27698   2.28545   2.29970   2.30156
 Alpha virt. eigenvalues --    2.31785   2.32669   2.33452   2.35016   2.36197
 Alpha virt. eigenvalues --    2.37783   2.40012   2.40165   2.41952   2.43724
 Alpha virt. eigenvalues --    2.45125   2.46587   2.49089   2.50158   2.52015
 Alpha virt. eigenvalues --    2.52528   2.52966   2.54805   2.55313   2.57086
 Alpha virt. eigenvalues --    2.60156   2.61423   2.62546   2.64780   2.65296
 Alpha virt. eigenvalues --    2.66643   2.68025   2.70556   2.71244   2.73732
 Alpha virt. eigenvalues --    2.75006   2.76080   2.76570   2.77483   2.78176
 Alpha virt. eigenvalues --    2.79329   2.80696   2.82422   2.82892   2.90470
 Alpha virt. eigenvalues --    2.93331   2.95104   2.95691   2.98190   3.01960
 Alpha virt. eigenvalues --    3.03222   3.04368   3.05289   3.08265   3.09630
 Alpha virt. eigenvalues --    3.10722   3.12629   3.13203   3.14501   3.16152
 Alpha virt. eigenvalues --    3.16901   3.19365   3.22275   3.22818   3.25102
 Alpha virt. eigenvalues --    3.25610   3.26489   3.28361   3.30259   3.31773
 Alpha virt. eigenvalues --    3.32751   3.35611   3.36818   3.45821   3.47931
 Alpha virt. eigenvalues --    3.72130   3.75924   3.91543   4.04414
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.995710  -1.458316  -1.405353   0.690253   0.167580  -0.055791
     2  C   -1.458316  12.133414   0.682377  -0.852570   0.611652  -1.033574
     3  C   -1.405353   0.682377   8.817493  -1.367454  -0.231169   0.309273
     4  C    0.690253  -0.852570  -1.367454  11.987700  -1.121800   0.751766
     5  C    0.167580   0.611652  -0.231169  -1.121800   9.350340  -1.084698
     6  C   -0.055791  -1.033574   0.309273   0.751766  -1.084698   8.406178
     7  C   -0.861734   0.164558   0.028219   0.149892  -0.014270  -0.990119
     8  C    0.012556   0.002841   0.006332  -0.006077  -0.004416   0.025673
     9  C   -0.010849  -0.047883   0.003795  -0.002503  -0.006012   0.029427
    10  C   -0.000531  -0.022326  -0.000946   0.000050   0.000170  -0.010924
    11  C    0.015076   0.121981  -0.768397   0.371222  -1.168628   0.028998
    12  C   -0.000450   0.020314  -0.150335  -0.055738  -0.092821  -0.010768
    13  O    0.013436  -0.002971   0.008697  -0.019999   0.015988   0.002508
    14  O    0.002106  -0.001587  -0.002692   0.013807  -0.003612   0.003380
    15  H    0.387749  -1.268936  -0.597968   0.015861   0.150280   0.056832
    16  H   -0.309801  -0.043332   0.469557  -1.190369   0.055995   0.122527
    17  H    0.143559  -0.114911   0.102287  -1.597700   0.497049  -0.635726
    18  H    0.088425  -1.356532   0.125143  -0.076778  -0.643597   0.521746
    19  H    0.070778  -0.166688   0.007371   0.007534   0.026699  -0.100036
    20  H    0.013854  -0.055462  -0.000841  -0.009212  -0.000785   0.108961
    21  H   -0.094894  -0.008658   0.006141  -0.001103   0.001078  -0.036063
    22  H    0.000849  -0.025643  -0.000244   0.000193  -0.000141   0.005161
    23  H   -0.006833   0.007934   0.000137   0.000505   0.001225  -0.010478
    24  H    0.015865   0.022696   0.001311  -0.003732   0.000953   0.005668
    25  H   -0.002663   0.005518   0.000095  -0.000033  -0.000106   0.000631
    26  H    0.001132   0.000118  -0.000247  -0.000007   0.000032  -0.001932
    27  H    0.000840   0.004137  -0.000000  -0.000009  -0.000007   0.001197
    28  H    0.011781  -0.001184   0.099005  -0.319529  -0.088580   0.010889
    29  C   -0.006826   0.001340  -0.051321   0.048688  -0.023283   0.003723
    30  H   -0.000560  -0.000096   0.000355  -0.002361   0.001373  -0.000396
    31  H    0.000201  -0.000003   0.001456  -0.034795   0.035234  -0.002565
    32  H    0.005603   0.000707  -0.017976  -0.006736  -0.004931  -0.000144
    33  H   -0.001261   0.000285   0.000480  -0.024041  -0.013149  -0.000035
               7          8          9         10         11         12
     1  C   -0.861734   0.012556  -0.010849  -0.000531   0.015076  -0.000450
     2  C    0.164558   0.002841  -0.047883  -0.022326   0.121981   0.020314
     3  C    0.028219   0.006332   0.003795  -0.000946  -0.768397  -0.150335
     4  C    0.149892  -0.006077  -0.002503   0.000050   0.371222  -0.055738
     5  C   -0.014270  -0.004416  -0.006012   0.000170  -1.168628  -0.092821
     6  C   -0.990119   0.025673   0.029427  -0.010924   0.028998  -0.010768
     7  C    6.989543   0.135812  -0.058849  -0.001881  -0.003422  -0.000506
     8  C    0.135812   6.026924   0.432947   0.314338  -0.000110   0.000090
     9  C   -0.058849   0.432947   4.154603  -0.043800  -0.000012   0.000005
    10  C   -0.001881   0.314338  -0.043800   4.332865   0.000003   0.000001
    11  C   -0.003422  -0.000110  -0.000012   0.000003   7.636116   0.384859
    12  C   -0.000506   0.000090   0.000005   0.000001   0.384859   4.914277
    13  O    0.000029  -0.000032  -0.000000  -0.000000  -0.119106   0.207727
    14  O    0.000000   0.000011  -0.000003  -0.000001  -0.069825  -0.023831
    15  H   -0.393094   0.000118  -0.000305   0.005498   0.002400   0.005530
    16  H    0.008200   0.001387  -0.000373  -0.000077  -0.283067  -0.024467
    17  H    0.014428  -0.001204  -0.001523   0.000039  -0.461921  -0.061286
    18  H   -0.370023   0.008598   0.028657  -0.004121   0.019546   0.002098
    19  H    0.174516   0.007526  -0.018919   0.022655  -0.000254   0.000023
    20  H    0.036472   0.058731   0.012702  -0.087318  -0.000118   0.000072
    21  H    0.088856   0.126107   0.013776  -0.052845  -0.000108   0.000024
    22  H   -0.026747   0.105854   0.197778  -0.005448   0.000030  -0.000002
    23  H    0.044928   0.108124   0.191156  -0.006352   0.000007  -0.000000
    24  H   -0.106148   0.125993   0.257780   0.003741  -0.000027  -0.000001
    25  H    0.000245   0.172807  -0.008135   0.116214   0.000000   0.000000
    26  H   -0.006111  -0.030245   0.004720   0.401282   0.000000  -0.000000
    27  H    0.008858   0.141331  -0.013527   0.195570  -0.000000   0.000000
    28  H   -0.000074   0.000067  -0.000016  -0.000001   0.229820  -0.178968
    29  C   -0.000047  -0.000110   0.000024  -0.000000   0.320165   0.013277
    30  H    0.000001  -0.000000   0.000000   0.000000   0.014170   0.130517
    31  H    0.000015  -0.000018   0.000011  -0.000000   0.110055   0.008730
    32  H   -0.000037   0.000041  -0.000014  -0.000000   0.091076   0.000838
    33  H   -0.000003   0.000002  -0.000001   0.000000   0.174090  -0.005845
              13         14         15         16         17         18
     1  C    0.013436   0.002106   0.387749  -0.309801   0.143559   0.088425
     2  C   -0.002971  -0.001587  -1.268936  -0.043332  -0.114911  -1.356532
     3  C    0.008697  -0.002692  -0.597968   0.469557   0.102287   0.125143
     4  C   -0.019999   0.013807   0.015861  -1.190369  -1.597700  -0.076778
     5  C    0.015988  -0.003612   0.150280   0.055995   0.497049  -0.643597
     6  C    0.002508   0.003380   0.056832   0.122527  -0.635726   0.521746
     7  C    0.000029   0.000000  -0.393094   0.008200   0.014428  -0.370023
     8  C   -0.000032   0.000011   0.000118   0.001387  -0.001204   0.008598
     9  C   -0.000000  -0.000003  -0.000305  -0.000373  -0.001523   0.028657
    10  C   -0.000000  -0.000001   0.005498  -0.000077   0.000039  -0.004121
    11  C   -0.119106  -0.069825   0.002400  -0.283067  -0.461921   0.019546
    12  C    0.207727  -0.023831   0.005530  -0.024467  -0.061286   0.002098
    13  O    8.421810  -0.002520   0.000018   0.011100   0.006451  -0.000123
    14  O   -0.002520   8.368711  -0.000122   0.001201  -0.006349   0.000567
    15  H    0.000018  -0.000122   2.949665  -0.639544  -0.019729   0.056436
    16  H    0.011100   0.001201  -0.639544   2.327544   0.051809  -0.017181
    17  H    0.006451  -0.006349  -0.019729   0.051809   3.215750  -0.907663
    18  H   -0.000123   0.000567   0.056436  -0.017181  -0.907663   3.041023
    19  H   -0.000001  -0.000015   0.021105  -0.000006   0.001994  -0.037962
    20  H   -0.000017  -0.000001   0.010236  -0.001847  -0.000159   0.014785
    21  H   -0.000005   0.000001  -0.077216   0.001031   0.000419  -0.009696
    22  H    0.000000  -0.000000   0.000489  -0.000022   0.000149  -0.006348
    23  H   -0.000000  -0.000000  -0.000780   0.000029   0.000100  -0.004693
    24  H    0.000004   0.000010   0.003044   0.000027   0.000666   0.009071
    25  H   -0.000000  -0.000000  -0.000818   0.000003  -0.000001   0.000254
    26  H    0.000000  -0.000000   0.002046  -0.000004  -0.000001  -0.000176
    27  H    0.000000  -0.000000   0.000708  -0.000003  -0.000001   0.000230
    28  H    0.009706  -0.056984  -0.000392   0.014073   0.036518  -0.002236
    29  C    0.002072   0.021031   0.000212   0.001495  -0.038182   0.001203
    30  H   -0.060883   0.150699  -0.000010   0.000826   0.000366  -0.000021
    31  H    0.004132  -0.000404   0.000372  -0.009783   0.015932  -0.000651
    32  H    0.011988  -0.000261   0.000737  -0.004956  -0.001593   0.000137
    33  H   -0.002829   0.003838  -0.000075   0.004649  -0.005024   0.000042
              19         20         21         22         23         24
     1  C    0.070778   0.013854  -0.094894   0.000849  -0.006833   0.015865
     2  C   -0.166688  -0.055462  -0.008658  -0.025643   0.007934   0.022696
     3  C    0.007371  -0.000841   0.006141  -0.000244   0.000137   0.001311
     4  C    0.007534  -0.009212  -0.001103   0.000193   0.000505  -0.003732
     5  C    0.026699  -0.000785   0.001078  -0.000141   0.001225   0.000953
     6  C   -0.100036   0.108961  -0.036063   0.005161  -0.010478   0.005668
     7  C    0.174516   0.036472   0.088856  -0.026747   0.044928  -0.106148
     8  C    0.007526   0.058731   0.126107   0.105854   0.108124   0.125993
     9  C   -0.018919   0.012702   0.013776   0.197778   0.191156   0.257780
    10  C    0.022655  -0.087318  -0.052845  -0.005448  -0.006352   0.003741
    11  C   -0.000254  -0.000118  -0.000108   0.000030   0.000007  -0.000027
    12  C    0.000023   0.000072   0.000024  -0.000002  -0.000000  -0.000001
    13  O   -0.000001  -0.000017  -0.000005   0.000000  -0.000000   0.000004
    14  O   -0.000015  -0.000001   0.000001  -0.000000  -0.000000   0.000010
    15  H    0.021105   0.010236  -0.077216   0.000489  -0.000780   0.003044
    16  H   -0.000006  -0.001847   0.001031  -0.000022   0.000029   0.000027
    17  H    0.001994  -0.000159   0.000419   0.000149   0.000100   0.000666
    18  H   -0.037962   0.014785  -0.009696  -0.006348  -0.004693   0.009071
    19  H    1.074939  -0.281688  -0.034492   0.040580   0.000301  -0.004409
    20  H   -0.281688   1.020736   0.085102  -0.008368  -0.002908  -0.001375
    21  H   -0.034492   0.085102   1.215805  -0.013874   0.046106  -0.034915
    22  H    0.040580  -0.008368  -0.013874   0.647852  -0.047268   0.007257
    23  H    0.000301  -0.002908   0.046106  -0.047268   0.856781  -0.094909
    24  H   -0.004409  -0.001375  -0.034915   0.007257  -0.094909   0.779110
    25  H   -0.038819   0.007943  -0.001592   0.011140  -0.017894  -0.000131
    26  H    0.004054  -0.026918  -0.010818  -0.002102   0.007541  -0.002179
    27  H    0.000684   0.008797   0.025620  -0.009503   0.010284   0.002267
    28  H   -0.000021   0.000005  -0.000000  -0.000000  -0.000000   0.000030
    29  C   -0.000001  -0.000003   0.000010   0.000001  -0.000001  -0.000031
    30  H    0.000000   0.000000  -0.000000   0.000000   0.000000  -0.000000
    31  H   -0.000002   0.000001   0.000003  -0.000001  -0.000001   0.000063
    32  H   -0.000001   0.000001  -0.000005   0.000000  -0.000001   0.000011
    33  H   -0.000000   0.000000   0.000000  -0.000000  -0.000000   0.000001
              25         26         27         28         29         30
     1  C   -0.002663   0.001132   0.000840   0.011781  -0.006826  -0.000560
     2  C    0.005518   0.000118   0.004137  -0.001184   0.001340  -0.000096
     3  C    0.000095  -0.000247  -0.000000   0.099005  -0.051321   0.000355
     4  C   -0.000033  -0.000007  -0.000009  -0.319529   0.048688  -0.002361
     5  C   -0.000106   0.000032  -0.000007  -0.088580  -0.023283   0.001373
     6  C    0.000631  -0.001932   0.001197   0.010889   0.003723  -0.000396
     7  C    0.000245  -0.006111   0.008858  -0.000074  -0.000047   0.000001
     8  C    0.172807  -0.030245   0.141331   0.000067  -0.000110  -0.000000
     9  C   -0.008135   0.004720  -0.013527  -0.000016   0.000024   0.000000
    10  C    0.116214   0.401282   0.195570  -0.000001  -0.000000   0.000000
    11  C    0.000000   0.000000  -0.000000   0.229820   0.320165   0.014170
    12  C    0.000000  -0.000000   0.000000  -0.178968   0.013277   0.130517
    13  O   -0.000000   0.000000   0.000000   0.009706   0.002072  -0.060883
    14  O   -0.000000  -0.000000  -0.000000  -0.056984   0.021031   0.150699
    15  H   -0.000818   0.002046   0.000708  -0.000392   0.000212  -0.000010
    16  H    0.000003  -0.000004  -0.000003   0.014073   0.001495   0.000826
    17  H   -0.000001  -0.000001  -0.000001   0.036518  -0.038182   0.000366
    18  H    0.000254  -0.000176   0.000230  -0.002236   0.001203  -0.000021
    19  H   -0.038819   0.004054   0.000684  -0.000021  -0.000001   0.000000
    20  H    0.007943  -0.026918   0.008797   0.000005  -0.000003   0.000000
    21  H   -0.001592  -0.010818   0.025620  -0.000000   0.000010  -0.000000
    22  H    0.011140  -0.002102  -0.009503  -0.000000   0.000001   0.000000
    23  H   -0.017894   0.007541   0.010284  -0.000000  -0.000001   0.000000
    24  H   -0.000131  -0.002179   0.002267   0.000030  -0.000031  -0.000000
    25  H    0.732150  -0.084929  -0.003053  -0.000000   0.000000   0.000000
    26  H   -0.084929   0.724837  -0.024457  -0.000000   0.000000   0.000000
    27  H   -0.003053  -0.024457   0.706189   0.000000  -0.000000  -0.000000
    28  H   -0.000000  -0.000000   0.000000   1.305751  -0.200414  -0.006260
    29  C    0.000000   0.000000  -0.000000  -0.200414   4.285932   0.001836
    30  H    0.000000   0.000000  -0.000000  -0.006260   0.001836   0.586490
    31  H    0.000000  -0.000000   0.000000   0.024518   0.178031  -0.000199
    32  H    0.000000   0.000000  -0.000000  -0.004487   0.299925  -0.000038
    33  H    0.000000   0.000000   0.000000   0.006615   0.206373   0.000141
              31         32         33
     1  C    0.000201   0.005603  -0.001261
     2  C   -0.000003   0.000707   0.000285
     3  C    0.001456  -0.017976   0.000480
     4  C   -0.034795  -0.006736  -0.024041
     5  C    0.035234  -0.004931  -0.013149
     6  C   -0.002565  -0.000144  -0.000035
     7  C    0.000015  -0.000037  -0.000003
     8  C   -0.000018   0.000041   0.000002
     9  C    0.000011  -0.000014  -0.000001
    10  C   -0.000000  -0.000000   0.000000
    11  C    0.110055   0.091076   0.174090
    12  C    0.008730   0.000838  -0.005845
    13  O    0.004132   0.011988  -0.002829
    14  O   -0.000404  -0.000261   0.003838
    15  H    0.000372   0.000737  -0.000075
    16  H   -0.009783  -0.004956   0.004649
    17  H    0.015932  -0.001593  -0.005024
    18  H   -0.000651   0.000137   0.000042
    19  H   -0.000002  -0.000001  -0.000000
    20  H    0.000001   0.000001   0.000000
    21  H    0.000003  -0.000005   0.000000
    22  H   -0.000001   0.000000  -0.000000
    23  H   -0.000001  -0.000001  -0.000000
    24  H    0.000063   0.000011   0.000001
    25  H    0.000000   0.000000   0.000000
    26  H   -0.000000   0.000000   0.000000
    27  H    0.000000  -0.000000   0.000000
    28  H    0.024518  -0.004487   0.006615
    29  C    0.178031   0.299925   0.206373
    30  H   -0.000199  -0.000038   0.000141
    31  H    0.711783  -0.000611  -0.062691
    32  H   -0.000611   0.573927   0.021480
    33  H   -0.062691   0.021480   0.614021
 Mulliken charges:
               1
     1  C   -0.421494
     2  C   -1.319201
     3  C   -0.074583
     4  C   -1.344924
     5  C   -0.413643
     6  C   -0.421289
     7  C    0.988494
     8  C   -1.771998
     9  C    0.885342
    10  C    0.844144
    11  C   -0.644618
    12  C    0.916638
    13  O   -0.507181
    14  O   -0.397157
    15  H    0.329652
    16  H    0.453381
    17  H    0.765459
    18  H    0.519840
    19  H    0.222557
    20  H    0.098623
    21  H   -0.233798
    22  H    0.128378
    23  H   -0.083041
    24  H    0.012289
    25  H    0.111176
    26  H    0.044365
    27  H   -0.056152
    28  H    0.110367
    29  C    0.934883
    30  H    0.184050
    31  H    0.021186
    32  H    0.035320
    33  H    0.082938
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.091841
     2  C   -1.319201
     3  C    0.378798
     4  C   -1.344924
     5  C    0.351816
     6  C    0.098550
     7  C    1.309674
     8  C   -2.005796
     9  C    0.942969
    10  C    0.943532
    11  C   -0.534251
    12  C    0.916638
    13  O   -0.507181
    14  O   -0.213107
    29  C    1.074326
 Electronic spatial extent (au):  <R**2>=           4744.5221
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0739    Y=              0.3728    Z=              1.2155  Tot=              1.6642
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.1149   YY=            -89.2551   ZZ=            -92.3969
   XY=              1.5642   XZ=              6.5087   YZ=              0.1796
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.4740   YY=              1.3339   ZZ=             -1.8079
   XY=              1.5642   XZ=              6.5087   YZ=              0.1796
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             28.4852  YYY=            -15.2950  ZZZ=              3.5569  XYY=             28.1249
  XXY=             -9.0969  XXZ=             30.8172  XZZ=             -9.0534  YZZ=              2.8381
  YYZ=              1.5938  XYZ=             -9.1238
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5201.9667 YYYY=           -589.7938 ZZZZ=           -514.3630 XXXY=            -97.4421
 XXXZ=            151.0891 YYYX=            -59.9833 YYYZ=            -10.0084 ZZZX=              1.9958
 ZZZY=             10.2286 XXYY=           -888.7610 XXZZ=          -1008.6209 YYZZ=           -189.7102
 XXYZ=            -54.1442 YYXZ=             30.4585 ZZXY=              5.9287
 N-N= 9.705181462157D+02 E-N=-3.463444362912D+03  KE= 6.487248968808D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 14:19:40 2021, MaxMem=  6442450944 cpu:               4.6 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.95197388D-01 1.16479224D-01 4.67266297D-01
 Polarizability= 2.07637691D+02 8.59182934D+00 1.29803752D+02
                -3.67801499D+00 6.80300155D+00 1.42111099D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.1749    2.1757        4.5637    4.5636
 2     -2.1749   -2.1757       -3.5411   -3.5445      -40.3814  -40.3762
 3     -4.5637   -4.5636       33.8368   33.8269        3.5422    3.5445
 4      3.5411    3.5445        0.0000    0.0000       -4.5634   -4.5636
 5      6.5446    6.5493        4.5634    4.5636        2.1746    2.1757
 6     -3.5422   -3.5445       -2.1746   -2.1757        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -6.5270   -6.5270       13.6908   13.6908
 2     10.6336   10.6336       -0.0000    0.0000       13.6908   13.6908
 3     10.6336   10.6336       -6.5270   -6.5270        0.0000    0.0000
 4     -6.5270   -6.5270      -10.6336  -10.6336     -121.1286 -121.1286
 5    -13.6908  -13.6908      101.4807  101.4807       10.6336   10.6336
 6     19.6479   19.6479       13.6908   13.6908        6.5270    6.5270
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3930    0.0000       -7.9693   -8.7026      -19.3521  -18.2543
 2      8.2799    8.7026       14.1989   14.1781      161.1552  161.5049
 3     18.1600   18.2543     -135.2984 -135.3076      -14.5486  -14.1781
 4    -13.9199  -14.1781        0.1696    0.0000       17.9352   18.2543
 5    -26.4111  -26.1973      -18.4696  -18.2543       -8.4701   -8.7026
 6     14.3955   14.1781        8.7494    8.7026        0.1850    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3115    0.0000       19.7641   19.6808       41.6002   41.8127
 2    -20.4805  -19.6808       18.8765   18.5957       41.5100   40.5375
 3    -41.7163  -41.8127        2.5010    3.3600      -17.7249  -18.5957
 4    -18.9827  -18.5957        0.0014    0.0000      -41.5402  -41.8127
 5    -43.4389  -43.8975       41.5937   41.8127       19.8683   19.6808
 6     18.5939   18.5957      -19.8995  -19.6808        0.0026    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     19.4953   19.4054       23.9425   23.8872      -22.5747  -22.5993
 2    -25.2118  -24.8528       74.3799   73.8432      -22.4520  -22.5993
 3    -25.1161  -24.8528       24.3556   23.8872      -51.0354  -51.3240
 4    -49.8072  -49.9560       44.0853   44.2582       44.4801   44.3075
 5    -28.7874  -28.7248       31.1454   31.6479      -44.1641  -44.2582
 6    -75.3931  -75.9553       28.9313   28.7248       50.1178   49.9560
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2480   -1.2187   -0.0003    0.0004    0.0007    1.8638
 Low frequencies ---   24.3249   38.3693   46.1605
 Diagonal vibrational polarizability:
       40.5311553      25.9089100       8.2901328
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.2900                38.3680                46.1577
 Red. masses --      3.6983                 6.7213                 4.7057
 Frc consts  --      0.0013                 0.0058                 0.0059
 IR Inten    --      0.1945                 1.3119                 0.6384
 RamAct Fr= 1--      0.2688                 1.0297                 1.8037
  Dep-P Fr= 1--      0.6941                 0.7500                 0.7477
  Dep-U Fr= 1--      0.8195                 0.8571                 0.8557
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0367                 0.1471                 0.2572
 AlphaG Fr= 1--     -0.0009                -0.0001                 0.0011
 Gamma2 Fr= 1--      0.2619                -0.8776                 0.0899
 Delta2 Fr= 1--      0.1908                -0.2483                -0.8135
 Raman1 Fr= 1--       1.075                  4.119                  7.215
 ROA1   Fr= 1--      31.245                -92.199                -17.404
 CID1   Fr= 1--      29.064                -22.385                 -2.412
 Raman2 Fr= 1--       0.440                  1.765                  3.087
 ROA2   Fr= 1--       4.759                -19.077                  8.665
 CID2   Fr= 1--      10.804                -10.807                  2.807
 Raman3 Fr= 1--       0.881                  3.530                  6.173
 ROA3   Fr= 1--      31.245                -92.199                -17.404
 CID3   Fr= 1--      35.467                -26.116                 -2.819
 RC180  Fr= 1--       0.639                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.05  -0.10    -0.01  -0.09   0.02     0.04  -0.23   0.06
     2   6     0.01  -0.02  -0.08    -0.03  -0.08   0.00    -0.01  -0.09  -0.00
     3   6    -0.00   0.07  -0.10    -0.01  -0.10   0.03     0.04  -0.22   0.06
     4   6    -0.00   0.03  -0.07    -0.03  -0.09   0.03    -0.02  -0.07   0.00
     5   6     0.00  -0.04  -0.06    -0.03  -0.10   0.03    -0.06   0.05  -0.05
     6   6     0.01  -0.06  -0.06    -0.04  -0.09   0.01    -0.05   0.04  -0.05
     7   6     0.02  -0.04  -0.09    -0.05  -0.01  -0.04    -0.03  -0.03  -0.03
     8   6    -0.02   0.05   0.06     0.02   0.07  -0.03     0.03   0.08   0.02
     9   6    -0.05  -0.02   0.25     0.10   0.05   0.01     0.08   0.04   0.13
    10   6    -0.01   0.02   0.01    -0.01   0.15  -0.08     0.00   0.15  -0.04
    11   6    -0.00   0.03  -0.06    -0.05  -0.02   0.03    -0.04   0.00  -0.03
    12   6     0.00   0.00   0.08     0.02   0.04  -0.00     0.04   0.06  -0.01
    13   8     0.03  -0.10   0.12    -0.22  -0.10  -0.04     0.21   0.17   0.01
    14   8    -0.03   0.10   0.14     0.40   0.26   0.03    -0.09  -0.02  -0.02
    15   1     0.00   0.08  -0.12    -0.01  -0.09   0.01     0.07  -0.33   0.10
    16   1    -0.01   0.11  -0.11     0.00  -0.10   0.04     0.07  -0.31   0.10
    17   1     0.00  -0.07  -0.04    -0.04  -0.09   0.03    -0.10   0.16  -0.10
    18   1     0.02  -0.11  -0.05    -0.05  -0.09   0.01    -0.09   0.14  -0.10
    19   1     0.05  -0.18  -0.08    -0.07  -0.03  -0.05    -0.04  -0.08  -0.04
    20   1     0.02   0.01  -0.22    -0.09   0.01  -0.08    -0.07   0.00  -0.11
    21   1    -0.05   0.20   0.05     0.05   0.07  -0.02     0.05   0.14   0.03
    22   1    -0.03  -0.17   0.27     0.08   0.05   0.00     0.07  -0.02   0.13
    23   1    -0.08   0.04   0.36     0.14   0.10   0.02     0.11   0.11   0.17
    24   1    -0.06   0.00   0.29     0.12  -0.01   0.04     0.09   0.00   0.17
    25   1     0.01  -0.13   0.02    -0.04   0.15  -0.09    -0.02   0.09  -0.05
    26   1     0.00   0.08  -0.13    -0.06   0.17  -0.11    -0.04   0.18  -0.12
    27   1    -0.04   0.09   0.12     0.04   0.21  -0.08     0.04   0.23  -0.01
    28   1    -0.04   0.11  -0.07    -0.06  -0.01   0.02    -0.05   0.04  -0.03
    29   6     0.05  -0.05  -0.13    -0.12  -0.00   0.02    -0.13   0.00  -0.05
    30   1    -0.03   0.07   0.23     0.42   0.28   0.02    -0.02   0.02  -0.01
    31   1     0.04  -0.04  -0.23    -0.18  -0.05   0.02    -0.18  -0.04  -0.04
    32   1     0.10  -0.13  -0.12    -0.10  -0.02   0.03    -0.14  -0.03  -0.04
    33   1     0.05  -0.05  -0.11    -0.14   0.07   0.03    -0.15   0.06  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --     50.3115                70.4612                95.1085
 Red. masses --      3.1810                 3.1549                 5.4221
 Frc consts  --      0.0047                 0.0092                 0.0289
 IR Inten    --      0.2198                 0.0953                 0.1841
 RamAct Fr= 1--      2.1181                 1.5937                 2.4196
  Dep-P Fr= 1--      0.7339                 0.7379                 0.6434
  Dep-U Fr= 1--      0.8465                 0.8492                 0.7830
 Alpha2 Fr= 1--      0.0006                 0.0003                 0.0046
 Beta2  Fr= 1--      0.2988                 0.2256                 0.3158
 AlphaG Fr= 1--     -0.0015                 0.0002                 0.0028
 Gamma2 Fr= 1--     -0.2607                 0.1617                 0.0251
 Delta2 Fr= 1--     -0.0721                 0.5029                 0.0998
 Raman1 Fr= 1--       8.472                  6.375                  9.678
 ROA1   Fr= 1--     -27.339                 31.621                  5.605
 CID1   Fr= 1--      -3.227                  4.960                  0.579
 Raman2 Fr= 1--       3.586                  2.707                  3.789
 ROA2   Fr= 1--      -5.681                 -0.142                 -0.196
 CID2   Fr= 1--      -1.584                 -0.052                 -0.052
 Raman3 Fr= 1--       7.172                  5.414                  7.579
 ROA3   Fr= 1--     -27.339                 31.621                  5.605
 CID3   Fr= 1--      -3.812                  5.841                  0.740
 RC180  Fr= 1--       0.693                  0.698                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.05     0.05  -0.05  -0.06    -0.07   0.08  -0.04
     2   6    -0.00  -0.06  -0.01    -0.00   0.01  -0.11    -0.06   0.10  -0.03
     3   6    -0.04   0.06  -0.05     0.06  -0.05  -0.02    -0.03  -0.04  -0.02
     4   6    -0.02  -0.01  -0.02     0.00   0.01  -0.02     0.03  -0.13   0.00
     5   6     0.01  -0.13   0.03    -0.06   0.09  -0.08     0.04  -0.11   0.01
     6   6     0.02  -0.15   0.03    -0.06   0.09  -0.13     0.00   0.00  -0.00
     7   6    -0.01  -0.04  -0.00     0.01  -0.04  -0.11    -0.07   0.13   0.02
     8   6     0.01  -0.03  -0.01    -0.08  -0.02   0.01    -0.14   0.04  -0.00
     9   6     0.19   0.02  -0.15     0.02  -0.01  -0.01    -0.23   0.06  -0.05
    10   6    -0.05   0.10   0.16    -0.09   0.00   0.23    -0.11  -0.06   0.05
    11   6    -0.03   0.03  -0.02     0.02  -0.02   0.06     0.02  -0.10  -0.00
    12   6    -0.00   0.04   0.03     0.01  -0.02   0.02     0.16  -0.00   0.01
    13   8     0.08   0.05   0.05    -0.03  -0.01   0.01     0.29   0.08   0.03
    14   8    -0.07   0.04   0.05     0.06  -0.02   0.01     0.19   0.01   0.01
    15   1    -0.05   0.10  -0.08     0.10  -0.10  -0.05    -0.11   0.15  -0.06
    16   1    -0.06   0.14  -0.08     0.11  -0.10   0.03    -0.06  -0.04  -0.04
    17   1     0.03  -0.19   0.05    -0.11   0.14  -0.09     0.07  -0.18   0.03
    18   1     0.04  -0.23   0.06    -0.11   0.14  -0.17     0.03   0.01   0.01
    19   1    -0.01  -0.01  -0.00     0.05  -0.13  -0.09    -0.04   0.18   0.03
    20   1    -0.04  -0.04   0.02     0.03  -0.01  -0.17    -0.07   0.10   0.09
    21   1    -0.08  -0.16  -0.05    -0.22  -0.04  -0.05    -0.17   0.03  -0.01
    22   1     0.30   0.16  -0.12     0.20   0.00   0.05    -0.26   0.07  -0.06
    23   1     0.17   0.01  -0.15    -0.09  -0.03   0.09    -0.26   0.00  -0.09
    24   1     0.22  -0.06  -0.30     0.02  -0.01  -0.20    -0.26   0.12  -0.05
    25   1     0.03   0.26   0.20     0.05   0.05   0.29    -0.07  -0.07   0.07
    26   1    -0.18   0.05   0.29    -0.17  -0.01   0.27    -0.05  -0.07   0.08
    27   1    -0.03   0.09   0.14    -0.17  -0.01   0.30    -0.17  -0.12   0.06
    28   1    -0.05   0.06  -0.03    -0.01  -0.08   0.09    -0.01  -0.08  -0.00
    29   6    -0.05   0.00  -0.05     0.08   0.04   0.14    -0.05  -0.08  -0.00
    30   1    -0.05   0.04   0.08     0.06  -0.01  -0.02     0.32   0.10   0.02
    31   1    -0.08  -0.01  -0.09     0.08   0.04   0.16    -0.11  -0.13  -0.01
    32   1    -0.02  -0.03  -0.05     0.10   0.10   0.11    -0.01  -0.10  -0.00
    33   1    -0.06   0.03  -0.05     0.08   0.02   0.19    -0.07  -0.01   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    178.2726               202.2722               221.8914
 Red. masses --      3.1070                 3.0324                 1.0863
 Frc consts  --      0.0582                 0.0731                 0.0315
 IR Inten    --      0.0958                 0.3701                 0.0980
 RamAct Fr= 1--      0.7400                 0.2501                 0.2931
  Dep-P Fr= 1--      0.5646                 0.6913                 0.1773
  Dep-U Fr= 1--      0.7217                 0.8175                 0.3012
 Alpha2 Fr= 1--      0.0026                 0.0003                 0.0042
 Beta2  Fr= 1--      0.0890                 0.0341                 0.0147
 AlphaG Fr= 1--     -0.0067                -0.0013                -0.0008
 Gamma2 Fr= 1--      0.2988                 0.3801                 0.1899
 Delta2 Fr= 1--      0.1694                 0.3068                 0.1076
 Raman1 Fr= 1--       2.960                  1.000                  1.172
 ROA1   Fr= 1--      34.101                 46.306                 21.675
 CID1   Fr= 1--      11.520                 46.294                 18.487
 Raman2 Fr= 1--       1.068                  0.409                  0.177
 ROA2   Fr= 1--       5.815                  6.668                  3.697
 CID2   Fr= 1--       5.444                 16.308                 20.935
 Raman3 Fr= 1--       2.136                  0.818                  0.353
 ROA3   Fr= 1--      34.101                 46.306                 21.675
 CID3   Fr= 1--      15.962                 56.629                 61.372
 RC180  Fr= 1--       0.443                  0.635                 -0.398
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.04  -0.00     0.05  -0.10  -0.02    -0.01   0.03  -0.00
     2   6    -0.05  -0.06   0.05     0.05  -0.03  -0.03    -0.00   0.02   0.00
     3   6    -0.12   0.00  -0.10     0.06  -0.12  -0.04    -0.01   0.01  -0.00
     4   6    -0.06   0.02  -0.14     0.05  -0.06  -0.06    -0.00  -0.01   0.00
     5   6    -0.02   0.04  -0.11     0.08  -0.10  -0.04    -0.00   0.02  -0.00
     6   6    -0.00   0.00  -0.01     0.09  -0.08  -0.02    -0.01   0.03  -0.00
     7   6    -0.06  -0.04   0.14     0.02   0.10   0.03     0.01  -0.01   0.00
     8   6     0.01  -0.04   0.06    -0.01   0.07   0.01     0.01  -0.01   0.00
     9   6     0.05  -0.03   0.02    -0.11   0.09  -0.04     0.03  -0.02   0.02
    10   6    -0.01   0.04  -0.06     0.03  -0.03   0.05     0.01  -0.00  -0.01
    11   6    -0.03  -0.03  -0.03     0.01   0.05  -0.02    -0.00  -0.01   0.01
    12   6     0.01  -0.01  -0.01    -0.03   0.03  -0.01     0.00  -0.01   0.00
    13   8     0.08   0.00   0.01    -0.07  -0.05   0.01    -0.01   0.00  -0.00
    14   8     0.04   0.04   0.02    -0.11   0.06   0.03     0.01  -0.02  -0.01
    15   1    -0.15  -0.06   0.03     0.03  -0.12  -0.00    -0.02   0.04  -0.00
    16   1    -0.17  -0.00  -0.14     0.05  -0.14  -0.03    -0.01   0.01  -0.00
    17   1     0.02   0.06  -0.15     0.11  -0.12  -0.04     0.00   0.02  -0.01
    18   1     0.05   0.02   0.02     0.10  -0.08  -0.01    -0.01   0.04  -0.00
    19   1    -0.03   0.07   0.15     0.06   0.19   0.05     0.00  -0.02   0.00
    20   1    -0.11  -0.07   0.23    -0.07   0.08   0.11     0.03  -0.01  -0.00
    21   1     0.10  -0.08   0.09    -0.01   0.06   0.01     0.02  -0.01   0.00
    22   1    -0.10   0.03  -0.03    -0.31   0.14  -0.12     0.13  -0.04   0.06
    23   1     0.19   0.01  -0.09    -0.00   0.06  -0.20    -0.05  -0.02   0.09
    24   1     0.08  -0.10   0.15    -0.12   0.10   0.13     0.02   0.01  -0.08
    25   1    -0.13   0.12  -0.11     0.10  -0.14   0.08    -0.03   0.08  -0.03
    26   1    -0.03   0.02  -0.01     0.08   0.00  -0.03     0.02  -0.04   0.07
    27   1     0.10   0.05  -0.17    -0.06  -0.03   0.15     0.04  -0.05  -0.09
    28   1    -0.12  -0.12   0.02    -0.05  -0.00   0.01    -0.01  -0.00   0.01
    29   6     0.18   0.07   0.12    -0.01   0.14   0.08    -0.03  -0.02  -0.00
    30   1     0.10   0.07   0.04    -0.19  -0.02   0.08     0.00  -0.02  -0.03
    31   1     0.21   0.09   0.11    -0.21   0.00   0.01    -0.42  -0.24  -0.33
    32   1     0.33   0.19   0.04     0.24   0.16   0.01     0.49  -0.20  -0.05
    33   1     0.20   0.00   0.33    -0.08   0.34   0.29    -0.16   0.37   0.36
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.0970               240.5552               252.6460
 Red. masses --      1.0975                 2.8311                 1.1559
 Frc consts  --      0.0339                 0.0965                 0.0435
 IR Inten    --      0.2882                 0.8810                 0.0444
 RamAct Fr= 1--      0.0583                 1.9612                 0.2867
  Dep-P Fr= 1--      0.7272                 0.2239                 0.7302
  Dep-U Fr= 1--      0.8421                 0.3659                 0.8440
 Alpha2 Fr= 1--      0.0000                 0.0250                 0.0001
 Beta2  Fr= 1--      0.0082                 0.1196                 0.0403
 AlphaG Fr= 1--     -0.0004                -0.0048                 0.0026
 Gamma2 Fr= 1--     -0.1573                -0.1724                -0.4302
 Delta2 Fr= 1--     -0.0020                 0.0673                -0.1879
 Raman1 Fr= 1--       0.233                  7.845                  1.147
 ROA1   Fr= 1--     -15.170                -14.392                -47.313
 CID1   Fr= 1--     -65.035                 -1.835                -41.263
 Raman2 Fr= 1--       0.098                  1.435                  0.484
 ROA2   Fr= 1--      -3.760                 -4.675                 -8.822
 CID2   Fr= 1--     -38.289                 -3.258                -18.230
 Raman3 Fr= 1--       0.196                  2.870                  0.968
 ROA3   Fr= 1--     -15.170                -14.392                -47.313
 CID3   Fr= 1--     -77.231                 -5.015                -48.887
 RC180  Fr= 1--       0.684                 -0.268                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00     0.05  -0.08   0.06    -0.02  -0.03   0.03
     2   6     0.01   0.00  -0.00    -0.01  -0.07   0.02    -0.01  -0.01   0.03
     3   6     0.01  -0.02  -0.01     0.04  -0.01   0.07    -0.02  -0.02   0.01
     4   6     0.01  -0.01  -0.01     0.01   0.07   0.04    -0.01   0.00  -0.01
     5   6     0.02  -0.02  -0.01    -0.01  -0.03   0.05     0.00  -0.02   0.01
     6   6     0.02  -0.01  -0.00    -0.00  -0.09   0.04     0.00  -0.02   0.03
     7   6     0.00   0.01   0.00    -0.04  -0.02  -0.04    -0.02   0.02   0.00
     8   6    -0.00   0.01   0.00    -0.07   0.01  -0.02    -0.01   0.02  -0.02
     9   6    -0.03   0.00   0.03    -0.10   0.01  -0.02     0.01   0.02  -0.02
    10   6    -0.00   0.01  -0.03    -0.09   0.06   0.00     0.01  -0.02  -0.02
    11   6     0.00   0.01  -0.01     0.03   0.07   0.01    -0.01   0.01  -0.01
    12   6    -0.00   0.00  -0.01    -0.01   0.05   0.01    -0.01   0.01  -0.01
    13   8    -0.00  -0.02   0.00    -0.05   0.10  -0.02     0.00   0.01  -0.01
    14   8    -0.02   0.02   0.01     0.02  -0.01  -0.04    -0.00   0.02  -0.00
    15   1     0.00  -0.02   0.00     0.11  -0.11   0.05    -0.03  -0.04   0.04
    16   1     0.01  -0.03  -0.01     0.05  -0.01   0.08    -0.03  -0.03   0.00
    17   1     0.03  -0.03  -0.01    -0.05  -0.03   0.08     0.02  -0.02   0.00
    18   1     0.02  -0.01   0.00    -0.00  -0.13   0.05     0.02  -0.02   0.04
    19   1     0.01   0.01   0.00    -0.05  -0.07  -0.05    -0.05   0.05  -0.01
    20   1     0.00   0.02  -0.00    -0.05   0.00  -0.10    -0.03   0.01   0.02
    21   1     0.00   0.02   0.01    -0.08   0.01  -0.02    -0.01   0.02  -0.02
    22   1     0.26  -0.07   0.13    -0.23   0.02  -0.07     0.44  -0.03   0.14
    23   1    -0.29  -0.06   0.22    -0.03   0.01  -0.10    -0.34  -0.07   0.25
    24   1    -0.08   0.13  -0.25    -0.10   0.01   0.10    -0.05   0.16  -0.44
    25   1    -0.19   0.42  -0.09    -0.15   0.25  -0.01     0.12  -0.34   0.01
    26   1     0.06  -0.16   0.38    -0.13  -0.01   0.16     0.01   0.10  -0.32
    27   1     0.12  -0.23  -0.40    -0.03   0.00  -0.13    -0.09   0.13   0.24
    28   1     0.00  -0.01  -0.01     0.04   0.12  -0.01    -0.02   0.00  -0.01
    29   6    -0.01   0.03   0.02     0.22  -0.06  -0.10     0.06   0.00  -0.00
    30   1    -0.03   0.00   0.03    -0.00  -0.00  -0.09     0.00   0.02   0.00
    31   1     0.07   0.06   0.11     0.20  -0.01  -0.37     0.08   0.03  -0.03
    32   1    -0.11   0.09   0.02     0.44  -0.22  -0.09     0.10   0.01  -0.01
    33   1     0.02  -0.04  -0.05     0.23  -0.09   0.07     0.07  -0.03   0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    287.8819               323.1799               348.5909
 Red. masses --      3.6294                 2.9641                 3.2217
 Frc consts  --      0.1772                 0.1824                 0.2307
 IR Inten    --      0.6678                 0.6833                 1.0830
 RamAct Fr= 1--      1.9749                 0.5128                 2.1850
  Dep-P Fr= 1--      0.0849                 0.6527                 0.7127
  Dep-U Fr= 1--      0.1564                 0.7898                 0.8323
 Alpha2 Fr= 1--      0.0359                 0.0009                 0.0014
 Beta2  Fr= 1--      0.0515                 0.0675                 0.3031
 AlphaG Fr= 1--      0.0140                 0.0016                 0.0049
 Gamma2 Fr= 1--      0.0991                -0.1670                 0.3017
 Delta2 Fr= 1--     -0.0237                -0.3218                -0.1769
 Raman1 Fr= 1--       7.899                  2.051                  8.740
 ROA1   Fr= 1--       8.757                -26.328                 23.302
 CID1   Fr= 1--       1.109                -12.835                  2.666
 Raman2 Fr= 1--       0.618                  0.810                  3.637
 ROA2   Fr= 1--       2.568                 -1.433                  8.655
 CID2   Fr= 1--       4.156                 -1.769                  2.380
 Raman3 Fr= 1--       1.236                  1.620                  7.274
 ROA3   Fr= 1--       8.757                -26.328                 23.302
 CID3   Fr= 1--       7.086                -16.251                  3.203
 RC180  Fr= 1--      -0.687                  0.580                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.08     0.03   0.03  -0.08    -0.07   0.07   0.02
     2   6     0.01  -0.04  -0.05     0.02   0.04  -0.07    -0.05   0.18   0.00
     3   6    -0.04  -0.01  -0.07     0.07  -0.04  -0.04    -0.01  -0.15   0.03
     4   6    -0.07  -0.02  -0.04     0.07  -0.05  -0.03     0.02  -0.13  -0.00
     5   6    -0.06  -0.01  -0.05     0.06  -0.03  -0.05     0.06  -0.11   0.02
     6   6    -0.03  -0.03  -0.05     0.06   0.02  -0.08     0.00   0.08   0.03
     7   6     0.04   0.07   0.04    -0.00   0.03   0.15    -0.02   0.07  -0.07
     8   6     0.10   0.09   0.04    -0.05  -0.09   0.05    -0.04  -0.01  -0.08
     9   6     0.02   0.11   0.01     0.01  -0.08   0.01     0.15  -0.07   0.06
    10   6     0.19  -0.11   0.06    -0.12   0.08  -0.07    -0.02  -0.09   0.00
    11   6    -0.09  -0.02   0.08     0.04   0.04   0.07    -0.02  -0.00  -0.01
    12   6    -0.06   0.02   0.09     0.01   0.05   0.09    -0.03   0.05  -0.01
    13   8    -0.09   0.17   0.03    -0.11   0.10   0.03    -0.05   0.07  -0.02
    14   8     0.05  -0.06   0.01     0.01  -0.07   0.02    -0.06   0.07   0.01
    15   1    -0.04  -0.03  -0.07     0.04   0.06  -0.09    -0.14   0.08   0.05
    16   1    -0.01   0.01  -0.06     0.07  -0.06  -0.03    -0.02  -0.25   0.04
    17   1    -0.05   0.00  -0.06     0.06  -0.03  -0.05     0.13  -0.16   0.02
    18   1    -0.06  -0.04  -0.07     0.06   0.04  -0.08     0.04   0.12   0.04
    19   1     0.08   0.14   0.06     0.13   0.28   0.20    -0.08   0.04  -0.10
    20   1    -0.08   0.06   0.08    -0.06  -0.07   0.41     0.13   0.05  -0.07
    21   1     0.12   0.10   0.05     0.00  -0.15   0.07    -0.09   0.02  -0.10
    22   1     0.01   0.14   0.00     0.12  -0.07   0.05     0.08  -0.15   0.04
    23   1    -0.02   0.05  -0.03    -0.06  -0.09   0.07     0.35   0.17   0.11
    24   1    -0.01   0.17  -0.01     0.01  -0.09  -0.10     0.24  -0.31   0.21
    25   1     0.18  -0.05   0.06    -0.20  -0.01  -0.11     0.02  -0.04   0.02
    26   1     0.41  -0.17   0.22    -0.26   0.15  -0.25     0.07  -0.13   0.10
    27   1     0.08  -0.33  -0.04     0.03   0.29  -0.02    -0.09  -0.21  -0.04
    28   1    -0.17   0.03   0.08    -0.04   0.10   0.06    -0.06   0.00  -0.01
    29   6     0.02  -0.14  -0.02    -0.03  -0.04  -0.02     0.10  -0.02  -0.00
    30   1     0.11   0.02  -0.11    -0.08  -0.09  -0.08    -0.08   0.05   0.06
    31   1     0.12  -0.04  -0.11    -0.01  -0.02  -0.03     0.19   0.06  -0.04
    32   1    -0.03  -0.23   0.03    -0.14  -0.12   0.03     0.13   0.00  -0.02
    33   1     0.06  -0.27  -0.07    -0.03  -0.04  -0.16     0.14  -0.14   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    385.3789               411.0532               418.5925
 Red. masses --      2.6684                 3.0932                 2.8294
 Frc consts  --      0.2335                 0.3079                 0.2921
 IR Inten    --      0.3486                 3.2350                 0.0460
 RamAct Fr= 1--      0.5888                 3.9478                 0.0978
  Dep-P Fr= 1--      0.1023                 0.1604                 0.4357
  Dep-U Fr= 1--      0.1857                 0.2764                 0.6069
 Alpha2 Fr= 1--      0.0103                 0.0594                 0.0006
 Beta2  Fr= 1--      0.0182                 0.1819                 0.0099
 AlphaG Fr= 1--     -0.0032                -0.0362                 0.0114
 Gamma2 Fr= 1--     -0.2993                -0.0015                -0.1999
 Delta2 Fr= 1--     -0.0641                 0.1601                -0.0049
 Raman1 Fr= 1--       2.355                 15.791                  0.391
 ROA1   Fr= 1--     -30.787                  4.983                -19.353
 CID1   Fr= 1--     -13.072                  0.316                -49.474
 Raman2 Fr= 1--       0.219                  2.182                  0.119
 ROA2   Fr= 1--      -6.672                 -1.315                 -4.759
 CID2   Fr= 1--     -30.516                 -0.603                -40.093
 Raman3 Fr= 1--       0.437                  4.365                  0.237
 ROA3   Fr= 1--     -30.787                  4.983                -19.353
 CID3   Fr= 1--     -70.409                  1.142                -81.517
 RC180  Fr= 1--      -0.629                 -0.447                  0.214
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.00   0.08     0.00   0.07  -0.08    -0.07   0.18  -0.06
     2   6     0.03   0.04   0.12     0.03   0.03  -0.06    -0.01  -0.00   0.02
     3   6    -0.06  -0.02  -0.09     0.03  -0.05   0.05     0.05  -0.18   0.07
     4   6    -0.00  -0.04  -0.10    -0.03  -0.08   0.08     0.01  -0.02  -0.01
     5   6     0.09  -0.00  -0.06    -0.05  -0.01   0.06    -0.04   0.17  -0.08
     6   6     0.07   0.07   0.08    -0.05   0.02  -0.03     0.06  -0.16   0.08
     7   6     0.07  -0.08  -0.09     0.08  -0.02   0.05     0.00  -0.05  -0.01
     8   6     0.07  -0.03  -0.06     0.12  -0.06  -0.00    -0.01   0.01   0.05
     9   6    -0.10  -0.04  -0.04    -0.09  -0.07  -0.02    -0.00   0.04  -0.02
    10   6     0.02   0.10   0.03     0.08   0.12   0.04    -0.01  -0.01  -0.01
    11   6    -0.03  -0.02   0.01    -0.06  -0.07  -0.00     0.01   0.01  -0.00
    12   6    -0.01   0.01   0.06    -0.06  -0.01  -0.09     0.01   0.01   0.01
    13   8    -0.06   0.07   0.03     0.03   0.01  -0.07    -0.01   0.00   0.01
    14   8     0.02  -0.04   0.03    -0.08   0.15  -0.01     0.00  -0.01   0.00
    15   1    -0.15  -0.04   0.15    -0.00   0.14  -0.12    -0.14   0.39  -0.14
    16   1    -0.13  -0.03  -0.14     0.10  -0.05   0.09     0.09  -0.38   0.14
    17   1     0.21  -0.01  -0.12    -0.07   0.01   0.06    -0.10   0.38  -0.17
    18   1     0.15   0.12   0.12    -0.12  -0.01  -0.07     0.13  -0.35   0.17
    19   1    -0.08  -0.35  -0.15     0.13   0.11   0.08     0.00  -0.20  -0.02
    20   1     0.24   0.00  -0.34     0.05  -0.06   0.18     0.03   0.00  -0.16
    21   1     0.04   0.00  -0.07     0.16  -0.08   0.01    -0.01   0.01   0.05
    22   1    -0.17  -0.13  -0.06    -0.14  -0.17  -0.03     0.01   0.14  -0.02
    23   1    -0.19  -0.15  -0.05    -0.24  -0.23  -0.03    -0.00  -0.01  -0.07
    24   1    -0.17   0.13   0.02    -0.20   0.18   0.02     0.00   0.04  -0.07
    25   1     0.13   0.17   0.08     0.15   0.19   0.07    -0.06  -0.05  -0.04
    26   1    -0.17   0.10   0.03    -0.15   0.14   0.01     0.04  -0.00  -0.04
    27   1     0.05   0.20   0.11     0.16   0.27   0.11     0.02  -0.01  -0.04
    28   1    -0.13   0.00   0.03     0.02  -0.13  -0.00    -0.01   0.02  -0.00
    29   6    -0.03  -0.02   0.01     0.05  -0.09   0.04     0.00   0.01  -0.01
    30   1     0.02  -0.02  -0.04     0.04   0.17   0.17    -0.02  -0.02  -0.02
    31   1    -0.02  -0.02   0.04     0.11  -0.02  -0.03     0.00   0.01   0.01
    32   1    -0.07  -0.02   0.02     0.13  -0.07   0.02    -0.01   0.02  -0.00
    33   1    -0.03  -0.03  -0.02     0.08  -0.19   0.15     0.00   0.02  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.6792               478.2506               511.3029
 Red. masses --      2.0767                 3.8604                 3.0577
 Frc consts  --      0.2207                 0.5202                 0.4710
 IR Inten    --      0.6577                11.4353                 1.6194
 RamAct Fr= 1--      0.3921                 1.0676                 0.5655
  Dep-P Fr= 1--      0.4304                 0.2265                 0.5752
  Dep-U Fr= 1--      0.6018                 0.3693                 0.7303
 Alpha2 Fr= 1--      0.0026                 0.0135                 0.0019
 Beta2  Fr= 1--      0.0393                 0.0657                 0.0688
 AlphaG Fr= 1--     -0.0103                -0.0014                -0.0020
 Gamma2 Fr= 1--     -0.0719                -0.1649                 0.0603
 Delta2 Fr= 1--     -0.0113                 0.1770                 0.1496
 Raman1 Fr= 1--       1.568                  4.270                  2.262
 ROA1   Fr= 1--      -7.258                -10.167                 10.576
 CID1   Fr= 1--      -4.628                 -2.381                  4.675
 Raman2 Fr= 1--       0.472                  0.789                  0.826
 ROA2   Fr= 1--      -1.635                 -5.373                  0.250
 CID2   Fr= 1--      -3.464                 -6.814                  0.302
 Raman3 Fr= 1--       0.944                  1.577                  1.652
 ROA3   Fr= 1--      -7.258                -10.167                 10.576
 CID3   Fr= 1--      -7.691                 -6.447                  6.401
 RC180  Fr= 1--       0.204                 -0.261                  0.461
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00    -0.10   0.06  -0.02     0.02  -0.04  -0.03
     2   6     0.00   0.02  -0.01    -0.12   0.00  -0.03     0.03   0.18  -0.08
     3   6     0.01   0.01  -0.01    -0.05  -0.06   0.06     0.01  -0.07   0.01
     4   6     0.02  -0.06   0.02     0.04  -0.09   0.05    -0.13   0.12  -0.03
     5   6     0.03  -0.07   0.02    -0.06  -0.12   0.02    -0.02  -0.04   0.08
     6   6    -0.02   0.08  -0.03    -0.13   0.06  -0.08    -0.01  -0.01   0.04
     7   6     0.03  -0.11   0.01    -0.06  -0.08   0.03     0.10   0.03   0.00
     8   6    -0.04   0.00   0.19     0.10  -0.02   0.02     0.01  -0.04   0.07
     9   6     0.01   0.11  -0.04    -0.03  -0.01  -0.01     0.00  -0.02  -0.01
    10   6    -0.03  -0.03  -0.04     0.13   0.04   0.04    -0.01   0.01  -0.01
    11   6     0.00  -0.02   0.01     0.08   0.13  -0.04    -0.13   0.03  -0.08
    12   6    -0.00   0.01  -0.02     0.11   0.07   0.06    -0.10  -0.04   0.03
    13   8    -0.01   0.02  -0.02    -0.02  -0.06   0.05     0.04  -0.03   0.08
    14   8    -0.04   0.05   0.00     0.06  -0.10  -0.01     0.06  -0.09  -0.03
    15   1     0.01  -0.01   0.01    -0.08   0.12  -0.07     0.05  -0.25   0.08
    16   1    -0.01   0.05  -0.03    -0.09  -0.06   0.03     0.15  -0.24   0.14
    17   1     0.04  -0.11   0.04    -0.13  -0.13   0.06     0.08  -0.25   0.15
    18   1    -0.04   0.15  -0.06    -0.15   0.15  -0.11    -0.01  -0.25   0.08
    19   1     0.09  -0.48   0.02    -0.07  -0.10   0.03     0.19  -0.06   0.03
    20   1     0.12   0.00  -0.32    -0.06  -0.06  -0.01     0.22   0.04  -0.03
    21   1    -0.01  -0.01   0.20     0.17  -0.03   0.04     0.00  -0.04   0.07
    22   1     0.04   0.42  -0.04    -0.08  -0.04  -0.03    -0.00   0.07  -0.01
    23   1     0.03  -0.04  -0.21    -0.12  -0.14  -0.05     0.01  -0.07  -0.07
    24   1     0.03   0.07  -0.20    -0.10   0.16   0.01     0.00  -0.01  -0.04
    25   1    -0.25  -0.15  -0.14     0.20   0.07   0.07    -0.11  -0.00  -0.06
    26   1     0.10   0.02  -0.16     0.07   0.04   0.06    -0.05   0.04  -0.08
    27   1     0.08   0.00  -0.13     0.11   0.06   0.08     0.09   0.10  -0.04
    28   1     0.01  -0.03   0.01     0.03   0.24  -0.06    -0.12   0.06  -0.09
    29   6     0.02  -0.03   0.01     0.06   0.18  -0.11    -0.00   0.09  -0.05
    30   1    -0.05   0.02   0.07    -0.27  -0.26  -0.21     0.40   0.19  -0.20
    31   1     0.04  -0.01  -0.01     0.07   0.18  -0.08     0.03   0.11  -0.02
    32   1     0.03  -0.04   0.01     0.04   0.20  -0.12     0.06   0.19  -0.10
    33   1     0.03  -0.06   0.02     0.06   0.17  -0.12     0.02   0.03   0.08
                     22                     23                     24
                      A                      A                      A
 Frequencies --    590.5269               617.6282               641.8112
 Red. masses --      2.0771                 1.7256                 3.4231
 Frc consts  --      0.4268                 0.3878                 0.8308
 IR Inten    --     47.1145                64.6213                21.7729
 RamAct Fr= 1--      1.4437                 0.8377                 3.2969
  Dep-P Fr= 1--      0.2241                 0.7499                 0.6321
  Dep-U Fr= 1--      0.3662                 0.8571                 0.7746
 Alpha2 Fr= 1--      0.0184                 0.0000                 0.0071
 Beta2  Fr= 1--      0.0881                 0.1197                 0.4256
 AlphaG Fr= 1--      0.0030                 0.0002                -0.0306
 Gamma2 Fr= 1--     -0.2876                -1.1285                -0.2639
 Delta2 Fr= 1--      0.1899                -0.5956                 0.1174
 Raman1 Fr= 1--       5.775                  3.351                 13.188
 ROA1   Fr= 1--     -21.529               -127.397                -21.573
 CID1   Fr= 1--      -3.728                -38.021                 -1.636
 Raman2 Fr= 1--       1.057                  1.436                  5.108
 ROA2   Fr= 1--      -8.421                -22.320                 -7.272
 CID2   Fr= 1--      -7.965                -15.544                 -1.424
 Raman3 Fr= 1--       2.114                  2.872                 10.215
 ROA3   Fr= 1--     -21.529               -127.397                -21.573
 CID3   Fr= 1--     -10.182                -44.359                 -2.112
 RC180  Fr= 1--      -0.268                  0.714                  0.549
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.03    -0.01   0.03   0.03    -0.08  -0.07  -0.07
     2   6     0.08  -0.12   0.05    -0.08   0.02  -0.02     0.01   0.00  -0.06
     3   6     0.01   0.00   0.00     0.01   0.00   0.05    -0.12   0.02   0.10
     4   6     0.02  -0.14   0.07     0.06   0.07  -0.02    -0.02   0.03   0.05
     5   6     0.03   0.02   0.05     0.03  -0.03  -0.04     0.07   0.08   0.10
     6   6     0.02   0.04   0.00     0.01  -0.00  -0.06     0.08  -0.02  -0.06
     7   6     0.02   0.01  -0.01    -0.08  -0.05   0.02     0.02   0.00  -0.02
     8   6    -0.02   0.02  -0.02     0.02   0.00  -0.00     0.00  -0.00   0.00
     9   6    -0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.01   0.01    -0.00   0.00  -0.00
    11   6    -0.07  -0.01  -0.09     0.09  -0.01   0.00     0.03  -0.12  -0.15
    12   6    -0.08  -0.03   0.03    -0.03  -0.06  -0.00     0.02  -0.11   0.01
    13   8    -0.02   0.02   0.04    -0.03   0.04  -0.04    -0.05   0.14  -0.09
    14   8    -0.00  -0.05   0.00    -0.06  -0.02   0.05     0.06  -0.02   0.17
    15   1    -0.07   0.30  -0.14     0.08  -0.06   0.03    -0.01  -0.12  -0.08
    16   1    -0.02   0.28  -0.08    -0.01  -0.13   0.07    -0.04   0.04   0.14
    17   1    -0.03   0.27  -0.07     0.01  -0.15   0.04     0.03   0.04   0.15
    18   1    -0.09   0.30  -0.12     0.09  -0.06   0.00     0.03  -0.11  -0.08
    19   1     0.01   0.06  -0.01    -0.10  -0.06   0.01     0.04  -0.03  -0.01
    20   1    -0.05  -0.00   0.04    -0.08  -0.03  -0.02     0.03   0.01  -0.04
    21   1    -0.06   0.03  -0.03     0.06  -0.01   0.02    -0.01   0.00  -0.00
    22   1     0.01  -0.00   0.01    -0.01  -0.01  -0.00     0.00   0.00  -0.00
    23   1     0.02   0.06   0.03    -0.02  -0.03  -0.01     0.00  -0.01  -0.01
    24   1     0.01  -0.02   0.00    -0.02   0.04   0.00     0.00  -0.00  -0.00
    25   1    -0.04  -0.01  -0.01     0.09   0.01   0.03    -0.01   0.00  -0.01
    26   1    -0.03  -0.02  -0.00     0.05  -0.00   0.03    -0.01   0.00  -0.01
    27   1    -0.05  -0.03  -0.01     0.00  -0.02   0.03     0.01   0.01  -0.00
    28   1    -0.05   0.06  -0.12     0.13  -0.03  -0.00     0.07  -0.05  -0.18
    29   6     0.02   0.07  -0.06     0.00   0.01  -0.00     0.01   0.04  -0.05
    30   1     0.51   0.31  -0.05     0.72   0.44   0.23    -0.42  -0.40   0.36
    31   1     0.07   0.10   0.02    -0.08  -0.07   0.06    -0.05  -0.07   0.20
    32   1     0.10   0.25  -0.14    -0.06   0.00   0.01     0.04   0.32  -0.15
    33   1     0.04   0.01   0.11    -0.04   0.13  -0.08    -0.02   0.13   0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.4485               715.1362               762.7542
 Red. masses --      5.2377                 3.3623                 3.7028
 Frc consts  --      1.3665                 1.0131                 1.2693
 IR Inten    --      6.7686                31.7334                 5.1818
 RamAct Fr= 1--      4.6227                 1.7378                12.8401
  Dep-P Fr= 1--      0.5603                 0.1495                 0.0410
  Dep-U Fr= 1--      0.7182                 0.2601                 0.0788
 Alpha2 Fr= 1--      0.0166                 0.0269                 0.2591
 Beta2  Fr= 1--      0.5534                 0.0753                 0.1686
 AlphaG Fr= 1--     -0.0164                 0.0186                 0.1189
 Gamma2 Fr= 1--      0.0012                 1.0612                -0.1332
 Delta2 Fr= 1--     -0.3674                 0.0943                -0.3663
 Raman1 Fr= 1--      18.491                  6.951                 51.360
 ROA1   Fr= 1--     -11.641                104.892                -24.506
 CID1   Fr= 1--      -0.630                 15.090                 -0.477
 Raman2 Fr= 1--       6.640                  0.904                  2.023
 ROA2   Fr= 1--       2.968                 24.714                 -0.266
 CID2   Fr= 1--       0.447                 27.336                 -0.131
 Raman3 Fr= 1--      13.281                  1.808                  4.046
 ROA3   Fr= 1--     -11.641                104.892                -24.506
 CID3   Fr= 1--      -0.877                 58.010                 -6.056
 RC180  Fr= 1--       0.436                 -0.480                 -0.842
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.10  -0.13    -0.07  -0.13  -0.03    -0.07   0.07  -0.11
     2   6    -0.01  -0.04  -0.07     0.04   0.08  -0.03     0.13  -0.18   0.08
     3   6    -0.20  -0.01   0.14    -0.12   0.02  -0.06     0.00  -0.14  -0.02
     4   6     0.01   0.04   0.07    -0.02  -0.10   0.04    -0.11   0.18  -0.08
     5   6     0.21   0.10   0.11    -0.09   0.05   0.02     0.01  -0.08   0.10
     6   6     0.23   0.01  -0.17    -0.05  -0.07   0.08    -0.05   0.14   0.03
     7   6    -0.02  -0.03  -0.01     0.14   0.11  -0.04     0.09  -0.04   0.00
     8   6    -0.00   0.01  -0.02     0.00  -0.02   0.04     0.00   0.02  -0.06
     9   6    -0.00   0.00  -0.00     0.00  -0.03  -0.00    -0.00   0.07   0.01
    10   6     0.01   0.00  -0.00    -0.02  -0.00   0.00    -0.08  -0.03  -0.02
    11   6    -0.02   0.08   0.11     0.11   0.05   0.07     0.04   0.05   0.07
    12   6    -0.02   0.12   0.01     0.20   0.06  -0.01     0.08  -0.02  -0.03
    13   8     0.04  -0.10   0.10    -0.05  -0.03  -0.08     0.00  -0.01  -0.07
    14   8    -0.03   0.02  -0.14    -0.08  -0.04   0.04    -0.01  -0.02   0.05
    15   1    -0.11  -0.09  -0.18    -0.18  -0.14   0.03    -0.22   0.22  -0.12
    16   1    -0.15  -0.01   0.17    -0.16   0.15  -0.11     0.11  -0.34   0.10
    17   1     0.13   0.09   0.15    -0.14   0.21  -0.05     0.15  -0.32   0.16
    18   1     0.19   0.00  -0.19    -0.14  -0.12   0.03    -0.17   0.24  -0.06
    19   1    -0.05  -0.13  -0.03     0.19   0.04  -0.02     0.06   0.09  -0.00
    20   1     0.01   0.01  -0.12     0.22   0.11  -0.05    -0.02  -0.08   0.13
    21   1     0.01   0.01  -0.01    -0.07   0.00   0.01    -0.04   0.04  -0.07
    22   1    -0.00  -0.02  -0.00     0.01   0.02  -0.00    -0.00  -0.00   0.01
    23   1    -0.01   0.01   0.01     0.02  -0.03  -0.03    -0.00   0.12   0.06
    24   1    -0.00   0.00   0.00     0.01  -0.06  -0.02    -0.00   0.07   0.05
    25   1     0.04   0.01   0.01    -0.13  -0.00  -0.05    -0.03  -0.01   0.00
    26   1     0.01  -0.00   0.02    -0.06   0.02  -0.06    -0.10  -0.04   0.01
    27   1    -0.02  -0.02   0.01     0.10   0.08  -0.04    -0.11  -0.05   0.00
    28   1    -0.04   0.03   0.13     0.05   0.06   0.08     0.00  -0.01   0.10
    29   6    -0.01  -0.05   0.07     0.03   0.03  -0.01     0.01   0.02   0.01
    30   1     0.14   0.22  -0.38     0.46   0.25   0.26     0.09  -0.02   0.23
    31   1     0.03   0.02  -0.13    -0.01   0.02  -0.08    -0.05   0.01  -0.11
    32   1    -0.03  -0.28   0.15    -0.04  -0.11   0.06    -0.08  -0.18   0.10
    33   1     0.01  -0.12  -0.04     0.01   0.09  -0.17    -0.01   0.09  -0.18
                     28                     29                     30
                      A                      A                      A
 Frequencies --    798.3050               827.4627               838.5757
 Red. masses --      2.3871                 3.2115                 2.7485
 Frc consts  --      0.8963                 1.2956                 1.1388
 IR Inten    --     17.1934                 9.4053                 0.7559
 RamAct Fr= 1--      6.8298                 6.4180                23.5561
  Dep-P Fr= 1--      0.0696                 0.1794                 0.0427
  Dep-U Fr= 1--      0.1302                 0.3042                 0.0819
 Alpha2 Fr= 1--      0.1287                 0.0920                 0.4735
 Beta2  Fr= 1--      0.1482                 0.3254                 0.3215
 AlphaG Fr= 1--      0.0696                 0.0258                 0.1465
 Gamma2 Fr= 1--      2.2036                -1.2808                 1.2149
 Delta2 Fr= 1--      1.3358                -0.7295                 0.1711
 Raman1 Fr= 1--      27.319                 25.672                 94.224
 ROA1   Fr= 1--     254.291               -146.304                122.107
 CID1   Fr= 1--       9.308                 -5.699                  1.296
 Raman2 Fr= 1--       1.778                  3.905                  3.858
 ROA2   Fr= 1--      42.201                -24.904                 27.789
 CID2   Fr= 1--      23.731                 -6.377                  7.202
 Raman3 Fr= 1--       3.557                  7.810                  7.717
 ROA3   Fr= 1--     254.291               -146.304                122.107
 CID3   Fr= 1--      71.498                -18.732                 15.823
 RC180  Fr= 1--      -0.740                 -0.392                 -0.836
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.04     0.05   0.02  -0.01    -0.03   0.03   0.07
     2   6     0.00   0.02  -0.01    -0.00  -0.06   0.01     0.02  -0.08   0.03
     3   6     0.02   0.05  -0.05     0.06  -0.01   0.00    -0.05   0.00   0.09
     4   6    -0.02  -0.08   0.03    -0.06   0.08  -0.04     0.03   0.06  -0.03
     5   6     0.00   0.09   0.03     0.04   0.00   0.05    -0.05  -0.02  -0.06
     6   6    -0.00   0.05   0.03     0.03   0.02   0.01    -0.06   0.01  -0.05
     7   6    -0.03  -0.14   0.05    -0.14   0.10  -0.04     0.12   0.06  -0.06
     8   6     0.01   0.01  -0.08    -0.05   0.02   0.10     0.01  -0.01   0.02
     9   6     0.01   0.10   0.02    -0.02  -0.17  -0.04     0.00  -0.00   0.01
    10   6    -0.05  -0.02  -0.03     0.11   0.05   0.04    -0.02  -0.02   0.01
    11   6    -0.05  -0.05  -0.06    -0.10  -0.02  -0.06     0.11  -0.10  -0.12
    12   6     0.15   0.11   0.03     0.20   0.10   0.01     0.02   0.10   0.06
    13   8    -0.05  -0.02  -0.00    -0.04  -0.03  -0.04    -0.04   0.01   0.10
    14   8    -0.04  -0.02  -0.01    -0.03  -0.04   0.02    -0.03   0.04  -0.08
    15   1     0.14  -0.34   0.11     0.05   0.17  -0.10    -0.04   0.15   0.01
    16   1     0.17  -0.15   0.09     0.14  -0.01   0.05    -0.12  -0.09   0.07
    17   1     0.15  -0.23   0.14     0.09  -0.01   0.03    -0.05  -0.32   0.10
    18   1     0.10  -0.38   0.19    -0.03   0.19  -0.06    -0.03  -0.08  -0.01
    19   1    -0.04   0.01   0.05    -0.16  -0.07  -0.05     0.16   0.19  -0.04
    20   1    -0.06  -0.18   0.16    -0.22   0.18  -0.22     0.06   0.01   0.08
    21   1     0.10  -0.01  -0.04    -0.09   0.02   0.08    -0.12   0.05  -0.03
    22   1    -0.01  -0.01   0.02     0.03  -0.01  -0.02    -0.01   0.05   0.00
    23   1    -0.03   0.13   0.08     0.04  -0.18  -0.11     0.01  -0.03  -0.03
    24   1    -0.02   0.16   0.09     0.03  -0.29  -0.15    -0.00   0.01  -0.01
    25   1     0.13   0.02   0.05    -0.06  -0.03  -0.04    -0.16  -0.02  -0.05
    26   1    -0.06  -0.06   0.07     0.25   0.09  -0.05    -0.06   0.01  -0.06
    27   1    -0.21  -0.11   0.06     0.21   0.06  -0.06     0.12   0.07  -0.05
    28   1    -0.12   0.09  -0.09    -0.22   0.13  -0.09     0.10   0.03  -0.17
    29   6    -0.02  -0.03   0.00    -0.04  -0.06   0.03     0.02  -0.10   0.02
    30   1     0.12   0.08  -0.02     0.11   0.03   0.09    -0.00   0.13  -0.30
    31   1     0.06   0.01   0.08     0.07   0.02   0.06    -0.11  -0.30   0.42
    32   1     0.07   0.15  -0.09     0.08   0.11  -0.06    -0.03   0.24  -0.09
    33   1     0.02  -0.12   0.19     0.01  -0.20   0.24    -0.05   0.11   0.12
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.5216               855.2642               875.2763
 Red. masses --      1.3363                 2.8232                 1.9520
 Frc consts  --      0.5736                 1.2167                 0.8811
 IR Inten    --      0.7533                 3.2762                16.2860
 RamAct Fr= 1--      1.6066                 9.7563                 2.3271
  Dep-P Fr= 1--      0.3486                 0.2271                 0.1853
  Dep-U Fr= 1--      0.5170                 0.3701                 0.3127
 Alpha2 Fr= 1--      0.0142                 0.1232                 0.0328
 Beta2  Fr= 1--      0.1384                 0.6018                 0.1213
 AlphaG Fr= 1--     -0.0310                -0.0905                 0.0156
 Gamma2 Fr= 1--     -0.5231                -0.8909                 1.6088
 Delta2 Fr= 1--     -0.5784                -1.0265                 1.3700
 Raman1 Fr= 1--       6.426                 39.025                  9.308
 ROA1   Fr= 1--     -68.731               -118.376                198.281
 CID1   Fr= 1--     -10.695                 -3.033                 21.301
 Raman2 Fr= 1--       1.661                  7.222                  1.455
 ROA2   Fr= 1--      -7.929                -13.169                 27.650
 CID2   Fr= 1--      -4.773                 -1.824                 18.999
 Raman3 Fr= 1--       3.322                 14.443                  2.911
 ROA3   Fr= 1--     -68.731               -118.376                198.281
 CID3   Fr= 1--     -20.688                 -8.196                 68.121
 RC180  Fr= 1--       0.034                 -0.260                 -0.375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.07  -0.01    -0.03  -0.00  -0.15     0.03  -0.10  -0.02
     2   6    -0.01   0.01  -0.00     0.04  -0.03   0.02    -0.03   0.11  -0.04
     3   6    -0.02   0.06   0.00     0.02   0.01  -0.15     0.05  -0.08  -0.02
     4   6    -0.00   0.03  -0.01    -0.01  -0.05   0.02    -0.04   0.09  -0.04
     5   6     0.02  -0.09   0.02     0.00   0.06   0.11     0.02  -0.02   0.07
     6   6     0.02  -0.08   0.01    -0.04   0.04   0.12    -0.01  -0.03   0.06
     7   6     0.02  -0.01   0.01    -0.09   0.02   0.01    -0.05  -0.05   0.06
     8   6     0.01  -0.01  -0.02    -0.04   0.03   0.03     0.02  -0.02  -0.03
     9   6     0.00   0.03   0.01    -0.02  -0.08  -0.03     0.01   0.05   0.01
    10   6    -0.02  -0.01  -0.01     0.05   0.04   0.01    -0.01  -0.01  -0.03
    11   6    -0.01  -0.01  -0.03     0.16  -0.05  -0.01     0.06  -0.02  -0.05
    12   6     0.03   0.02   0.01    -0.10  -0.01   0.03     0.03   0.03   0.02
    13   8    -0.01  -0.00   0.00     0.00   0.03   0.07    -0.02   0.00   0.02
    14   8    -0.01  -0.00  -0.00    -0.00   0.05  -0.05    -0.01   0.01  -0.02
    15   1     0.14  -0.36   0.17    -0.01  -0.41   0.07    -0.16   0.43  -0.24
    16   1     0.09  -0.35   0.17     0.23  -0.32   0.05    -0.05   0.43  -0.21
    17   1    -0.19   0.49  -0.21     0.10   0.03   0.08    -0.05   0.28  -0.06
    18   1    -0.14   0.47  -0.21    -0.13  -0.01   0.08    -0.13   0.20  -0.06
    19   1     0.03  -0.02   0.01    -0.14  -0.10  -0.00    -0.05  -0.16   0.05
    20   1     0.06  -0.01   0.01    -0.16   0.08  -0.13     0.07  -0.04  -0.02
    21   1     0.04  -0.02  -0.00    -0.01   0.00   0.04     0.15  -0.07   0.02
    22   1    -0.01  -0.00   0.00     0.03  -0.04  -0.01    -0.01  -0.03   0.00
    23   1    -0.01   0.03   0.02     0.02  -0.04  -0.02    -0.02   0.06   0.05
    24   1    -0.00   0.05   0.02     0.02  -0.17  -0.07    -0.01   0.10   0.06
    25   1     0.02   0.01   0.01     0.02  -0.02  -0.00     0.16   0.04   0.05
    26   1    -0.06  -0.02   0.01     0.16   0.04  -0.00    -0.06  -0.04   0.07
    27   1    -0.03  -0.01   0.01     0.03  -0.01  -0.01    -0.14  -0.05   0.06
    28   1    -0.02   0.02  -0.03     0.25  -0.10  -0.01     0.06   0.03  -0.06
    29   6    -0.01  -0.02   0.01     0.06   0.01  -0.02     0.02  -0.06   0.02
    30   1     0.01   0.01  -0.01    -0.05   0.06  -0.19     0.01   0.04  -0.08
    31   1    -0.00  -0.03   0.06    -0.13  -0.19   0.17    -0.08  -0.18   0.21
    32   1     0.00   0.04  -0.01    -0.10   0.04   0.00    -0.05   0.07  -0.01
    33   1    -0.01  -0.02   0.06    -0.03   0.28  -0.20    -0.04   0.10  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.5048               936.6433               953.8744
 Red. masses --      1.5127                 1.1976                 1.6482
 Frc consts  --      0.7179                 0.6190                 0.8836
 IR Inten    --      1.9102                 1.8660                 0.3741
 RamAct Fr= 1--      2.0945                 1.1263                 4.5652
  Dep-P Fr= 1--      0.7248                 0.5080                 0.6859
  Dep-U Fr= 1--      0.8405                 0.6738                 0.8137
 Alpha2 Fr= 1--      0.0009                 0.0054                 0.0051
 Beta2  Fr= 1--      0.2934                 0.1265                 0.6191
 AlphaG Fr= 1--     -0.0045                -0.0226                 0.0043
 Gamma2 Fr= 1--      0.8179                 0.3136                 1.2425
 Delta2 Fr= 1--      0.2172                 0.6321                -0.3819
 Raman1 Fr= 1--       8.378                  4.505                 18.261
 ROA1   Fr= 1--      85.473                 50.336                107.055
 CID1   Fr= 1--      10.202                 11.173                  5.863
 Raman2 Fr= 1--       3.521                  1.518                  7.429
 ROA2   Fr= 1--      17.893                  2.471                 32.875
 CID2   Fr= 1--       5.082                  1.628                  4.425
 Raman3 Fr= 1--       7.042                  3.036                 14.859
 ROA3   Fr= 1--      85.473                 50.336                107.055
 CID3   Fr= 1--      12.138                 16.582                  7.205
 RC180  Fr= 1--       0.681                  0.348                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.02
     2   6    -0.02   0.03  -0.03     0.01  -0.01   0.00     0.02   0.00  -0.00
     3   6    -0.00  -0.01  -0.02    -0.00   0.00   0.01    -0.01  -0.01   0.02
     4   6    -0.01  -0.00  -0.01     0.00  -0.00   0.00    -0.00   0.02  -0.01
     5   6     0.04   0.01   0.04    -0.01   0.00  -0.01     0.02  -0.10   0.02
     6   6     0.01   0.01   0.05     0.00  -0.00  -0.01    -0.03   0.08  -0.03
     7   6    -0.03  -0.09  -0.14     0.02   0.00   0.01     0.07  -0.08   0.03
     8   6     0.00  -0.04   0.02    -0.04  -0.01  -0.01    -0.09   0.06  -0.02
     9   6     0.01   0.02   0.06    -0.07  -0.01   0.04    -0.04  -0.04  -0.04
    10   6     0.03   0.00   0.02     0.05  -0.02  -0.06     0.04   0.08   0.00
    11   6     0.01   0.00   0.00     0.00  -0.00   0.00     0.00   0.01  -0.01
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.04   0.01   0.02    -0.00  -0.00   0.01    -0.01  -0.01   0.03
    16   1    -0.03   0.02  -0.04    -0.01  -0.01   0.01    -0.06   0.05  -0.02
    17   1     0.06   0.15  -0.05    -0.00  -0.05   0.01    -0.17   0.48  -0.21
    18   1     0.00   0.05   0.04    -0.01   0.02  -0.02     0.14  -0.47   0.19
    19   1    -0.02   0.50  -0.12     0.03  -0.02   0.02     0.16   0.02   0.06
    20   1    -0.17  -0.28   0.40     0.05  -0.00   0.02     0.04  -0.11   0.12
    21   1    -0.20   0.22  -0.05     0.18   0.29   0.08    -0.14   0.04  -0.04
    22   1    -0.06   0.35   0.02     0.15   0.41   0.10     0.06  -0.09  -0.00
    23   1     0.00  -0.25  -0.21     0.16   0.10  -0.09     0.04   0.14   0.06
    24   1    -0.03   0.12  -0.10     0.09  -0.40  -0.27     0.04  -0.23  -0.05
    25   1    -0.10  -0.02  -0.04     0.38   0.24   0.10     0.04  -0.08  -0.00
    26   1     0.05   0.03  -0.04    -0.32  -0.09   0.13     0.37   0.08   0.01
    27   1     0.14   0.04  -0.05    -0.05   0.08   0.15    -0.11  -0.13  -0.04
    28   1    -0.01  -0.02   0.01     0.00   0.00   0.00    -0.00   0.01  -0.01
    29   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    30   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.03   0.03
    32   1    -0.02  -0.03   0.02     0.00   0.00  -0.00    -0.01  -0.00   0.01
    33   1    -0.00   0.02  -0.03     0.00  -0.00   0.00    -0.01   0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    962.2554               972.1447               977.0186
 Red. masses --      1.5792                 1.4898                 1.3832
 Frc consts  --      0.8615                 0.8295                 0.7779
 IR Inten    --      0.2341                 0.0678                 0.2151
 RamAct Fr= 1--      1.8966                 2.2513                 0.5862
  Dep-P Fr= 1--      0.6582                 0.6477                 0.7015
  Dep-U Fr= 1--      0.7939                 0.7862                 0.8246
 Alpha2 Fr= 1--      0.0031                 0.0041                 0.0005
 Beta2  Fr= 1--      0.2509                 0.2950                 0.0806
 AlphaG Fr= 1--     -0.0440                -0.0044                 0.0008
 Gamma2 Fr= 1--      0.1315                 0.3492                 0.7991
 Delta2 Fr= 1--     -0.0055                 0.2784                -0.1250
 Raman1 Fr= 1--       7.586                  9.005                  2.345
 ROA1   Fr= 1--      12.453                 42.432                 72.712
 CID1   Fr= 1--       1.641                  4.712                 31.012
 Raman2 Fr= 1--       3.011                  3.540                  0.967
 ROA2   Fr= 1--       3.201                  6.154                 20.179
 CID2   Fr= 1--       1.063                  1.738                 20.874
 Raman3 Fr= 1--       6.023                  7.080                  1.933
 ROA3   Fr= 1--      12.453                 42.432                 72.712
 CID3   Fr= 1--       2.068                  5.993                 37.609
 RC180  Fr= 1--       0.588                  0.572                  0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.00   0.01  -0.01    -0.03   0.10  -0.05
     2   6     0.00   0.03  -0.02    -0.01   0.00  -0.00     0.01  -0.02   0.01
     3   6    -0.01  -0.03   0.03     0.01  -0.02  -0.00     0.03  -0.11   0.04
     4   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.02  -0.01
     5   6    -0.03   0.07  -0.04     0.01   0.01   0.01     0.00  -0.01   0.00
     6   6     0.03  -0.09   0.04     0.00  -0.01   0.01    -0.01   0.01   0.00
     7   6     0.05  -0.09   0.02    -0.01  -0.02  -0.01    -0.01   0.03  -0.01
     8   6    -0.08   0.05  -0.02    -0.06  -0.08  -0.03     0.03   0.01   0.01
     9   6    -0.03  -0.03  -0.03    -0.06   0.11  -0.03     0.01  -0.01   0.01
    10   6     0.03   0.09   0.00     0.11  -0.04   0.05    -0.02  -0.02  -0.00
    11   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.02  -0.01
    12   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.02  -0.10   0.07     0.03  -0.08   0.03     0.18  -0.58   0.24
    16   1    -0.08   0.15  -0.06    -0.02   0.09  -0.05    -0.20   0.62  -0.28
    17   1     0.13  -0.42   0.15     0.03  -0.02   0.01    -0.01   0.05  -0.02
    18   1    -0.16   0.51  -0.21    -0.01   0.05  -0.01     0.02  -0.07   0.04
    19   1     0.16   0.03   0.06    -0.03   0.00  -0.01    -0.04   0.01  -0.02
    20   1     0.07  -0.14   0.16    -0.02  -0.04   0.03    -0.04   0.05  -0.05
    21   1    -0.12   0.04  -0.04    -0.21  -0.24  -0.09     0.05   0.04   0.02
    22   1     0.02  -0.07  -0.01     0.11  -0.13   0.05    -0.02   0.04  -0.00
    23   1     0.01   0.07   0.04     0.06   0.49   0.26    -0.01  -0.08  -0.05
    24   1     0.01  -0.13  -0.03     0.06  -0.19   0.09    -0.01   0.04  -0.01
    25   1     0.05  -0.10   0.00    -0.17   0.08  -0.07    -0.01   0.01   0.00
    26   1     0.39   0.07   0.02    -0.16   0.05  -0.14    -0.07  -0.02   0.01
    27   1    -0.17  -0.16  -0.04     0.51   0.28  -0.05    -0.01   0.01   0.01
    28   1    -0.01  -0.01   0.01     0.00   0.01  -0.00     0.01   0.07  -0.03
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.01
    30   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    31   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.03   0.05
    32   1     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00   0.02  -0.00
    33   1     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.01  -0.01   0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.2594              1046.1014              1084.3046
 Red. masses --      1.9160                 2.8189                 2.1112
 Frc consts  --      1.1613                 1.8175                 1.4625
 IR Inten    --      2.1426                 4.4598                57.3510
 RamAct Fr= 1--     10.6569                 0.0429                 2.9975
  Dep-P Fr= 1--      0.2499                 0.6965                 0.6869
  Dep-U Fr= 1--      0.3998                 0.8211                 0.8144
 Alpha2 Fr= 1--      0.1263                 0.0000                 0.0033
 Beta2  Fr= 1--      0.7102                 0.0059                 0.4069
 AlphaG Fr= 1--      0.0519                -0.0003                 0.0200
 Gamma2 Fr= 1--     -0.1276                -0.1278                -1.7464
 Delta2 Fr= 1--     -1.4211                 0.1091                 0.4597
 Raman1 Fr= 1--      42.628                  0.172                 11.990
 ROA1   Fr= 1--     -57.729                 -8.782               -152.943
 CID1   Fr= 1--      -1.354                -51.167                -12.756
 Raman2 Fr= 1--       8.522                  0.070                  4.882
 ROA2   Fr= 1--       8.305                 -3.941                -45.590
 CID2   Fr= 1--       0.975                -55.931                 -9.338
 Raman3 Fr= 1--      17.044                  0.141                  9.765
 ROA3   Fr= 1--     -57.729                 -8.782               -152.943
 CID3   Fr= 1--      -3.387                -62.318                -15.663
 RC180  Fr= 1--      -0.200                  0.642                  0.629
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.05    -0.01  -0.08  -0.18    -0.01  -0.01  -0.02
     2   6    -0.00   0.01   0.02     0.03   0.01  -0.00     0.01   0.01   0.04
     3   6    -0.01   0.01  -0.05    -0.04   0.07   0.19     0.02  -0.00  -0.00
     4   6     0.07   0.01   0.03     0.04   0.01  -0.01    -0.05   0.01   0.03
     5   6    -0.00   0.00  -0.02    -0.01  -0.08  -0.17    -0.02  -0.03  -0.04
     6   6    -0.03   0.00   0.04    -0.05   0.06   0.19     0.05   0.00  -0.04
     7   6     0.01  -0.01   0.00    -0.01  -0.00   0.00    -0.00   0.00   0.03
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.04
     9   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.03
    10   6     0.00   0.01   0.00     0.00  -0.00   0.00     0.01   0.01   0.02
    11   6     0.04   0.18  -0.00    -0.01  -0.02  -0.01    -0.05  -0.05   0.19
    12   6    -0.06  -0.05  -0.03     0.01   0.00   0.01     0.04  -0.07   0.04
    13   8     0.03  -0.00  -0.03    -0.00   0.00   0.01     0.01  -0.01  -0.00
    14   8     0.02  -0.01   0.02    -0.00   0.00  -0.00    -0.02   0.04  -0.09
    15   1    -0.13   0.01  -0.04     0.30  -0.05  -0.36    -0.06  -0.02   0.01
    16   1     0.02  -0.16   0.00     0.21   0.20   0.33     0.16   0.10   0.07
    17   1    -0.00  -0.06   0.02     0.28  -0.04  -0.34    -0.09  -0.01  -0.02
    18   1    -0.01   0.03   0.04     0.20   0.20   0.33     0.19   0.06   0.03
    19   1    -0.03   0.01  -0.01    -0.06   0.00  -0.01    -0.20  -0.03  -0.04
    20   1     0.05  -0.02   0.03    -0.03  -0.00  -0.00     0.19  -0.02   0.02
    21   1    -0.04   0.03  -0.02    -0.00  -0.00  -0.00    -0.12   0.06  -0.07
    22   1    -0.00   0.02   0.00    -0.00   0.01   0.00    -0.02   0.10   0.01
    23   1     0.00  -0.01  -0.01    -0.00  -0.01  -0.00     0.01  -0.07  -0.05
    24   1     0.00  -0.00  -0.01    -0.00   0.01   0.00    -0.01   0.04  -0.03
    25   1    -0.01  -0.01  -0.00    -0.01   0.00  -0.00    -0.05  -0.02  -0.02
    26   1     0.03   0.01  -0.01    -0.00   0.00  -0.00     0.05   0.02  -0.03
    27   1     0.00  -0.01  -0.01     0.01   0.01  -0.00     0.05   0.00  -0.03
    28   1     0.24   0.56  -0.20    -0.07  -0.10   0.03    -0.16   0.29   0.09
    29   6    -0.08  -0.12   0.04    -0.00   0.02   0.01     0.05  -0.01  -0.13
    30   1     0.02  -0.03   0.07    -0.00   0.00  -0.01    -0.01  -0.07   0.29
    31   1     0.11  -0.02   0.22     0.00   0.04  -0.07    -0.03  -0.16   0.31
    32   1     0.13   0.22  -0.12     0.00  -0.06   0.03    -0.03   0.44  -0.27
    33   1    -0.02  -0.28   0.47     0.01  -0.02  -0.04    -0.04   0.27   0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.0867              1106.5628              1138.8393
 Red. masses --      1.5807                 1.8056                 2.1587
 Frc consts  --      1.1210                 1.3026                 1.6496
 IR Inten    --      3.6718                52.0604                 6.6869
 RamAct Fr= 1--      1.6622                 4.1968                13.4826
  Dep-P Fr= 1--      0.2037                 0.3365                 0.4543
  Dep-U Fr= 1--      0.3385                 0.5035                 0.6248
 Alpha2 Fr= 1--      0.0224                 0.0385                 0.0812
 Beta2  Fr= 1--      0.0938                 0.3522                 1.4039
 AlphaG Fr= 1--     -0.0044                 0.0282                 0.1015
 Gamma2 Fr= 1--     -0.9400                 1.5828                -1.3268
 Delta2 Fr= 1--      0.3222                 0.9603                -0.7229
 Raman1 Fr= 1--       6.649                 16.787                 53.930
 ROA1   Fr= 1--     -79.932                182.675               -150.510
 CID1   Fr= 1--     -12.022                 10.882                 -2.791
 Raman2 Fr= 1--       1.125                  4.226                 16.847
 ROA2   Fr= 1--     -25.139                 30.303                -26.061
 CID2   Fr= 1--     -22.338                  7.170                 -1.547
 Raman3 Fr= 1--       2.251                  8.453                 33.693
 ROA3   Fr= 1--     -79.932                182.675               -150.510
 CID3   Fr= 1--     -35.513                 21.611                 -4.467
 RC180  Fr= 1--      -0.323                  0.007                  0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.04     0.01  -0.00  -0.03    -0.02  -0.02  -0.01
     2   6     0.01  -0.01  -0.05     0.01   0.00   0.05    -0.04   0.05  -0.00
     3   6    -0.03   0.02   0.03     0.02   0.01  -0.00     0.03   0.00  -0.01
     4   6    -0.03  -0.06  -0.02    -0.03  -0.04   0.03    -0.01   0.00   0.02
     5   6     0.01   0.02   0.01    -0.03  -0.01  -0.02    -0.02  -0.01  -0.01
     6   6     0.00   0.01   0.02     0.02  -0.01  -0.05     0.03  -0.01  -0.01
     7   6    -0.01  -0.01  -0.05    -0.00   0.02   0.07     0.03  -0.09   0.04
     8   6     0.02   0.02   0.05    -0.03  -0.03  -0.08     0.14   0.19  -0.02
     9   6    -0.01  -0.00  -0.04     0.01   0.00   0.06    -0.05  -0.07  -0.06
    10   6    -0.01  -0.01  -0.02     0.02   0.02   0.03    -0.07  -0.08   0.08
    11   6    -0.06   0.10  -0.01    -0.04   0.08  -0.10    -0.01  -0.00  -0.00
    12   6    -0.02  -0.02  -0.02    -0.03   0.05  -0.04    -0.01   0.02  -0.01
    13   8     0.02  -0.01  -0.03     0.01  -0.01  -0.03     0.00  -0.00  -0.01
    14   8     0.01  -0.01   0.01     0.02  -0.03   0.07     0.00  -0.01   0.02
    15   1     0.13   0.04  -0.02     0.01  -0.02  -0.02    -0.14   0.02   0.03
    16   1    -0.07  -0.06   0.03     0.18   0.06   0.09     0.16   0.08   0.05
    17   1     0.18  -0.02  -0.06    -0.15  -0.06   0.07    -0.14  -0.02   0.06
    18   1    -0.03  -0.00   0.00     0.07  -0.01  -0.02     0.17   0.14   0.05
    19   1     0.25   0.05   0.05    -0.38  -0.10  -0.06    -0.11   0.07  -0.01
    20   1    -0.30   0.01  -0.02     0.42  -0.00   0.01    -0.22  -0.04  -0.00
    21   1     0.16  -0.08   0.10    -0.22   0.09  -0.15     0.11   0.48  -0.02
    22   1     0.03  -0.15  -0.02    -0.05   0.22   0.02     0.11  -0.13  -0.01
    23   1    -0.01   0.09   0.07     0.01  -0.14  -0.11     0.08   0.12   0.01
    24   1     0.01  -0.05   0.05    -0.02   0.08  -0.07     0.05  -0.29  -0.08
    25   1     0.07   0.03   0.02    -0.09  -0.04  -0.03    -0.41  -0.02  -0.07
    26   1    -0.08  -0.03   0.04     0.11   0.05  -0.05    -0.23   0.01  -0.14
    27   1    -0.05   0.00   0.04     0.08   0.00  -0.06     0.20   0.10  -0.05
    28   1    -0.33   0.28  -0.00    -0.11  -0.00  -0.05     0.06  -0.04  -0.00
    29   6     0.10  -0.06   0.02     0.07  -0.04   0.07     0.01  -0.00  -0.00
    30   1     0.00  -0.04   0.08    -0.00   0.02  -0.14    -0.00   0.02  -0.08
    31   1    -0.18  -0.33   0.28    -0.15  -0.21   0.08    -0.01  -0.02   0.01
    32   1    -0.22   0.02   0.07    -0.17  -0.18   0.17    -0.01   0.00   0.00
    33   1    -0.04   0.34  -0.20    -0.01   0.20  -0.23    -0.00   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.0429              1161.6356              1193.8493
 Red. masses --      1.5753                 2.0670                 1.7728
 Frc consts  --      1.2233                 1.6434                 1.4887
 IR Inten    --     35.0019               161.4685                 9.4992
 RamAct Fr= 1--      6.6925                 1.3057                 2.5264
  Dep-P Fr= 1--      0.1443                 0.4190                 0.5504
  Dep-U Fr= 1--      0.2522                 0.5906                 0.7100
 Alpha2 Fr= 1--      0.1050                 0.0090                 0.0096
 Beta2  Fr= 1--      0.2813                 0.1285                 0.2990
 AlphaG Fr= 1--      0.0666                -0.0182                 0.0191
 Gamma2 Fr= 1--      1.2191                -1.4213                -1.2328
 Delta2 Fr= 1--      0.6087                -0.6605                 0.4742
 Raman1 Fr= 1--      26.770                  5.223                 10.106
 ROA1   Fr= 1--     136.509               -157.587               -103.178
 CID1   Fr= 1--       5.099                -30.174                -10.210
 Raman2 Fr= 1--       3.375                  1.542                  3.588
 ROA2   Fr= 1--      24.388                -28.828                -33.382
 CID2   Fr= 1--       7.226                -18.693                 -9.304
 Raman3 Fr= 1--       6.750                  3.084                  7.176
 ROA3   Fr= 1--     136.509               -157.587               -103.178
 CID3   Fr= 1--      20.222                -51.092                -14.379
 RC180  Fr= 1--      -0.496                  0.181                  0.420
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.01   0.00     0.05   0.02   0.01     0.00   0.00  -0.00
     2   6     0.02   0.00   0.01    -0.01  -0.00  -0.01     0.01   0.00   0.01
     3   6     0.04   0.01  -0.01    -0.05  -0.02   0.01    -0.00  -0.00  -0.00
     4   6    -0.04   0.00   0.03    -0.05   0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.06  -0.03  -0.03     0.04   0.00  -0.01    -0.00  -0.00  -0.00
     6   6     0.08   0.02  -0.01    -0.03  -0.01  -0.00     0.00  -0.00  -0.01
     7   6    -0.02   0.01  -0.07     0.00   0.00   0.02    -0.02   0.03  -0.05
     8   6    -0.03  -0.04   0.06     0.00   0.01  -0.02     0.16  -0.11  -0.00
     9   6     0.01   0.02  -0.02    -0.00  -0.00   0.01    -0.11   0.03   0.02
    10   6     0.01   0.02  -0.04    -0.00  -0.00   0.01    -0.08   0.08   0.04
    11   6     0.00  -0.01   0.02    -0.00  -0.03   0.13     0.00   0.00  -0.00
    12   6    -0.02   0.07  -0.04    -0.05   0.13  -0.09    -0.00   0.00  -0.00
    13   8     0.01  -0.01  -0.02     0.02  -0.03  -0.05     0.00  -0.00  -0.00
    14   8     0.01  -0.02   0.07     0.01  -0.04   0.13     0.00  -0.00   0.00
    15   1    -0.36  -0.05   0.18     0.30   0.04  -0.13     0.03   0.00  -0.02
    16   1     0.29   0.15   0.12    -0.24  -0.10  -0.10    -0.01  -0.01  -0.00
    17   1    -0.29  -0.05   0.09     0.33   0.05  -0.19    -0.02  -0.00   0.01
    18   1     0.42   0.19   0.17    -0.17  -0.09  -0.08    -0.01  -0.02  -0.01
    19   1     0.20   0.08   0.01    -0.04  -0.03   0.01    -0.22   0.11  -0.12
    20   1    -0.16  -0.01   0.02     0.05   0.01  -0.01     0.04   0.00  -0.00
    21   1     0.07  -0.18   0.10    -0.02   0.03  -0.02     0.35  -0.25   0.07
    22   1    -0.01  -0.10  -0.02    -0.00   0.03   0.00     0.20   0.21   0.13
    23   1    -0.04   0.05   0.06     0.01  -0.02  -0.02     0.16   0.30   0.04
    24   1    -0.00   0.05   0.08    -0.00  -0.00  -0.02     0.05  -0.33  -0.10
    25   1     0.18   0.03   0.04    -0.04  -0.01  -0.01    -0.16  -0.27  -0.01
    26   1     0.01  -0.03   0.08     0.00   0.01  -0.02     0.34   0.08   0.01
    27   1    -0.11  -0.03   0.05     0.03   0.01  -0.01    -0.20  -0.22  -0.12
    28   1     0.19  -0.10   0.00     0.29  -0.15   0.10     0.00  -0.00  -0.00
    29   6     0.01  -0.01  -0.02     0.01  -0.02  -0.09     0.00  -0.00   0.00
    30   1    -0.01   0.06  -0.23    -0.04   0.12  -0.46    -0.00   0.00  -0.00
    31   1    -0.00  -0.03   0.04     0.04  -0.06   0.18    -0.00  -0.00   0.00
    32   1     0.00   0.06  -0.04     0.03   0.27  -0.20    -0.00  -0.00   0.00
    33   1    -0.01   0.03   0.02    -0.03   0.07   0.14    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.8084              1222.7581              1236.6941
 Red. masses --      1.2528                 2.1594                 2.3831
 Frc consts  --      1.0839                 1.9022                 2.1474
 IR Inten    --      2.7453                 9.8056                 1.2664
 RamAct Fr= 1--     44.3770                36.0246                27.4979
  Dep-P Fr= 1--      0.0927                 0.1526                 0.1343
  Dep-U Fr= 1--      0.1697                 0.2648                 0.2369
 Alpha2 Fr= 1--      0.7909                 0.5532                 0.4422
 Beta2  Fr= 1--      1.2550                 1.5900                 1.0855
 AlphaG Fr= 1--      0.0779                -0.0161                 0.1188
 Gamma2 Fr= 1--      1.9841                 1.1988                 1.2977
 Delta2 Fr= 1--     -0.4756                 0.0117                -0.2688
 Raman1 Fr= 1--     177.508                144.098                109.992
 ROA1   Fr= 1--     175.251                115.461                115.983
 CID1   Fr= 1--       0.987                  0.801                  1.054
 Raman2 Fr= 1--      15.059                 19.080                 13.026
 ROA2   Fr= 1--      51.422                 28.678                 33.296
 CID2   Fr= 1--       3.415                  1.503                  2.556
 Raman3 Fr= 1--      30.119                 38.160                 26.052
 ROA3   Fr= 1--     175.251                115.461                115.983
 CID3   Fr= 1--       5.819                  3.026                  4.452
 RC180  Fr= 1--      -0.661                 -0.470                 -0.526
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.04    -0.09  -0.04  -0.03     0.04   0.01  -0.01
     2   6     0.04   0.01  -0.00    -0.03  -0.02  -0.00     0.28   0.10  -0.01
     3   6     0.01   0.02   0.03     0.08   0.03   0.01    -0.07   0.00   0.06
     4   6    -0.09  -0.02   0.01     0.22   0.06  -0.03     0.04   0.01  -0.02
     5   6     0.02  -0.01  -0.04     0.06   0.02   0.01    -0.07  -0.04  -0.05
     6   6    -0.01  -0.02  -0.04    -0.08  -0.01   0.04     0.05   0.01   0.01
     7   6    -0.02  -0.01   0.00     0.02   0.01  -0.00    -0.09  -0.05   0.02
     8   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.04
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.01   0.00  -0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.01
    11   6     0.04   0.02  -0.01    -0.09  -0.04   0.03     0.01  -0.00   0.00
    12   6     0.00  -0.01   0.01    -0.01   0.02  -0.02    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.01     0.01  -0.01  -0.03     0.00  -0.00  -0.01
    14   8     0.00   0.00  -0.01    -0.00  -0.01   0.04    -0.00   0.00   0.01
    15   1    -0.35  -0.01   0.23    -0.48  -0.08   0.18    -0.18  -0.00   0.12
    16   1     0.37   0.22   0.23     0.20   0.09   0.06    -0.34  -0.14  -0.07
    17   1     0.48   0.03  -0.31    -0.01   0.02   0.06    -0.37  -0.07   0.12
    18   1    -0.32  -0.19  -0.22    -0.39  -0.18  -0.12    -0.28  -0.15  -0.19
    19   1    -0.06  -0.01  -0.01     0.03  -0.00  -0.00    -0.48   0.02  -0.11
    20   1    -0.03  -0.01   0.00     0.06  -0.00   0.02    -0.30  -0.02  -0.03
    21   1    -0.00   0.01   0.00     0.00   0.01   0.00    -0.07   0.03   0.01
    22   1     0.00  -0.01  -0.00     0.01  -0.01   0.00    -0.01  -0.06  -0.02
    23   1     0.00   0.01   0.01     0.00   0.02   0.01    -0.02   0.01   0.03
    24   1     0.00  -0.01   0.00     0.00  -0.01   0.00    -0.00   0.02   0.04
    25   1    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.04   0.03   0.00
    26   1    -0.00  -0.00   0.00     0.01  -0.00   0.01    -0.05  -0.02   0.02
    27   1     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.01   0.02   0.03
    28   1     0.19   0.04  -0.06    -0.49  -0.13   0.17    -0.13  -0.02   0.05
    29   6    -0.01  -0.00   0.02     0.02  -0.00  -0.04    -0.01  -0.00  -0.01
    30   1     0.01  -0.01   0.06    -0.02   0.05  -0.19    -0.01   0.02  -0.07
    31   1     0.01   0.03  -0.04    -0.04  -0.08   0.08     0.01   0.00   0.02
    32   1     0.03  -0.02   0.02    -0.06   0.08  -0.05     0.01   0.01  -0.02
    33   1     0.00  -0.02  -0.01    -0.01   0.06   0.02    -0.00  -0.02   0.04
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1247.6176              1280.1017              1309.3077
 Red. masses --      1.6167                 1.7461                 1.5939
 Frc consts  --      1.4827                 1.6858                 1.6099
 IR Inten    --      3.1280                 2.3314                 4.2091
 RamAct Fr= 1--      4.8676                 5.0770                 3.9327
  Dep-P Fr= 1--      0.5198                 0.5452                 0.4895
  Dep-U Fr= 1--      0.6841                 0.7057                 0.6573
 Alpha2 Fr= 1--      0.0218                 0.0199                 0.0204
 Beta2  Fr= 1--      0.5549                 0.5971                 0.4308
 AlphaG Fr= 1--      0.0080                 0.0277                 0.0079
 Gamma2 Fr= 1--     -1.7246                 1.6220                -4.7562
 Delta2 Fr= 1--     -0.0578                 1.2987                -1.7426
 Raman1 Fr= 1--      19.470                 20.308                 15.731
 ROA1   Fr= 1--    -167.413                197.273               -512.356
 CID1   Fr= 1--      -8.598                  9.714                -32.570
 Raman2 Fr= 1--       6.659                  7.166                  5.170
 ROA2   Fr= 1--     -40.929                 28.539               -100.208
 CID2   Fr= 1--      -6.146                  3.983                -19.384
 Raman3 Fr= 1--      13.319                 14.331                 10.339
 ROA3   Fr= 1--    -167.413                197.273               -512.356
 CID3   Fr= 1--     -12.570                 13.765                -49.555
 RC180  Fr= 1--       0.368                  0.411                  0.315
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.04     0.02  -0.01  -0.04    -0.03   0.00   0.03
     2   6    -0.04   0.00   0.08     0.02   0.02   0.02     0.01  -0.02  -0.03
     3   6    -0.01  -0.01  -0.03    -0.01  -0.01  -0.03     0.02   0.02   0.03
     4   6     0.00   0.02   0.04     0.07   0.06   0.10    -0.01  -0.04  -0.08
     5   6     0.03   0.00  -0.02     0.03  -0.01  -0.05    -0.02   0.01   0.03
     6   6    -0.03  -0.02  -0.03    -0.04  -0.01  -0.01     0.03   0.02   0.02
     7   6     0.01  -0.00  -0.06     0.00  -0.01   0.01    -0.02   0.01  -0.01
     8   6    -0.00   0.00   0.15     0.00  -0.00  -0.02    -0.01   0.00  -0.00
     9   6     0.01   0.01  -0.10    -0.00  -0.00   0.02     0.00   0.00  -0.01
    10   6    -0.00  -0.00  -0.05     0.00   0.00   0.00    -0.00  -0.00   0.01
    11   6    -0.03  -0.00  -0.01    -0.16  -0.00  -0.01     0.04   0.08  -0.01
    12   6     0.01   0.00   0.00     0.02   0.06  -0.03    -0.05   0.09  -0.06
    13   8    -0.00   0.00   0.01    -0.02   0.00   0.05    -0.00  -0.00   0.05
    14   8     0.00  -0.00  -0.01     0.02  -0.03  -0.03     0.03  -0.04  -0.03
    15   1     0.14  -0.01  -0.10    -0.21  -0.02   0.09     0.11   0.01  -0.05
    16   1     0.02  -0.00  -0.01    -0.22  -0.13  -0.15     0.10   0.06   0.07
    17   1     0.01  -0.00  -0.00     0.09  -0.01  -0.08    -0.10  -0.01   0.08
    18   1    -0.05  -0.04  -0.05     0.04   0.03   0.03    -0.08  -0.04  -0.04
    19   1    -0.42   0.21  -0.20     0.09  -0.02   0.03    -0.00  -0.02   0.00
    20   1     0.46  -0.15   0.23    -0.19   0.04  -0.06     0.16  -0.04   0.06
    21   1    -0.00   0.25   0.16    -0.03  -0.09  -0.04     0.09   0.08   0.04
    22   1     0.04  -0.33  -0.06    -0.00   0.06   0.01    -0.00  -0.03  -0.01
    23   1    -0.08   0.14   0.15     0.02  -0.02  -0.02    -0.01   0.00   0.01
    24   1     0.03  -0.05   0.18    -0.01   0.01  -0.03     0.00   0.00   0.01
    25   1     0.14   0.05   0.03    -0.00  -0.00  -0.00    -0.03  -0.00  -0.00
    26   1    -0.05  -0.06   0.11     0.00   0.01  -0.01     0.01   0.01  -0.01
    27   1    -0.11   0.02   0.09     0.00  -0.01  -0.01     0.02   0.01  -0.01
    28   1     0.09  -0.01  -0.04     0.61  -0.18  -0.14    -0.05  -0.55   0.25
    29   6     0.01   0.00   0.01     0.05   0.00   0.01    -0.02  -0.04  -0.04
    30   1     0.00  -0.02   0.05     0.04  -0.15   0.44     0.08  -0.19   0.59
    31   1    -0.03  -0.02  -0.01    -0.11  -0.12   0.02     0.06  -0.03   0.15
    32   1    -0.03  -0.02   0.02    -0.14  -0.03   0.06     0.04   0.11  -0.11
    33   1     0.00   0.03  -0.04     0.01   0.12  -0.08    -0.03  -0.03   0.16
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1319.3569              1349.7290              1363.6703
 Red. masses --      1.3466                 2.1911                 1.5746
 Frc consts  --      1.3811                 2.3518                 1.7252
 IR Inten    --      1.4435                 0.6775                 0.8558
 RamAct Fr= 1--     16.6351                 2.3533                 7.4961
  Dep-P Fr= 1--      0.3200                 0.7417                 0.3456
  Dep-U Fr= 1--      0.4849                 0.8517                 0.5137
 Alpha2 Fr= 1--      0.1605                 0.0003                 0.0668
 Beta2  Fr= 1--      1.3444                 0.3340                 0.6417
 AlphaG Fr= 1--      0.0147                -0.0088                 0.0823
 Gamma2 Fr= 1--     -0.8005                 4.0756                -1.4784
 Delta2 Fr= 1--      0.5831                 1.6832                -1.2749
 Raman1 Fr= 1--      66.540                  9.413                 29.984
 ROA1   Fr= 1--     -58.190                445.115               -182.724
 CID1   Fr= 1--      -0.875                 47.287                 -6.094
 Raman2 Fr= 1--      16.133                  4.009                  7.701
 ROA2   Fr= 1--     -23.878                 84.348                -25.283
 CID2   Fr= 1--      -1.480                 21.042                 -3.283
 Raman3 Fr= 1--      32.266                  8.017                 15.402
 ROA3   Fr= 1--     -58.190                445.115               -182.724
 CID3   Fr= 1--      -1.803                 55.521                -11.864
 RC180  Fr= 1--      -0.030                  0.703                  0.027
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.08   0.00  -0.04    -0.09  -0.01   0.04
     2   6     0.06  -0.02  -0.01    -0.00   0.07   0.18    -0.01   0.00   0.00
     3   6    -0.00   0.00   0.01    -0.11  -0.06  -0.05     0.04   0.02   0.01
     4   6     0.01   0.01   0.01    -0.02   0.02   0.07     0.03  -0.03  -0.10
     5   6    -0.02  -0.01  -0.01     0.11   0.01  -0.07    -0.03  -0.01   0.01
     6   6     0.01   0.01   0.01    -0.06  -0.04  -0.04     0.07   0.04   0.04
     7   6    -0.12   0.02  -0.04     0.01  -0.03  -0.05     0.05  -0.02  -0.01
     8   6    -0.05   0.01  -0.04    -0.05   0.06  -0.03    -0.05   0.04  -0.01
     9   6     0.02   0.01  -0.01     0.01  -0.01   0.03     0.01  -0.01   0.01
    10   6    -0.00  -0.02   0.06     0.01  -0.02   0.02     0.01  -0.01   0.01
    11   6    -0.02  -0.02   0.00     0.03   0.03  -0.02    -0.06  -0.05   0.04
    12   6     0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.00   0.01  -0.01
    13   8    -0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.11  -0.02   0.06     0.17   0.02  -0.10     0.32   0.02  -0.19
    16   1    -0.12  -0.06  -0.05     0.31   0.18   0.17     0.18   0.09   0.08
    17   1     0.01  -0.01  -0.03    -0.34  -0.04   0.18    -0.21  -0.02   0.11
    18   1     0.01  -0.02   0.01    -0.18  -0.10  -0.11    -0.32  -0.16  -0.18
    19   1     0.32  -0.15   0.11     0.24   0.08   0.04    -0.16   0.13  -0.08
    20   1     0.47  -0.15   0.24    -0.18  -0.03   0.02    -0.05   0.00  -0.03
    21   1     0.55   0.21   0.19     0.32  -0.40   0.10     0.25  -0.24   0.10
    22   1    -0.04  -0.08  -0.03    -0.06   0.06   0.00    -0.06   0.04  -0.01
    23   1    -0.04  -0.03  -0.00     0.01  -0.08  -0.05    -0.01  -0.03   0.01
    24   1     0.01   0.01  -0.01    -0.01   0.01  -0.09    -0.01   0.03  -0.04
    25   1    -0.14  -0.01  -0.00    -0.05   0.05  -0.00    -0.04   0.04  -0.01
    26   1     0.06   0.06  -0.10    -0.02   0.02  -0.07    -0.01   0.01  -0.03
    27   1     0.16   0.04  -0.06     0.07   0.03  -0.01     0.02   0.02   0.02
    28   1     0.07   0.09  -0.06    -0.20  -0.15   0.11     0.43   0.30  -0.22
    29   6     0.01   0.01   0.01    -0.01  -0.01  -0.00     0.02   0.02   0.02
    30   1    -0.01   0.02  -0.07     0.00  -0.00   0.01    -0.00  -0.01   0.01
    31   1    -0.02  -0.00  -0.02     0.02   0.01   0.02    -0.05  -0.01  -0.08
    32   1    -0.02  -0.02   0.02     0.04   0.04  -0.03    -0.05  -0.02   0.05
    33   1     0.01   0.01  -0.03    -0.01  -0.01   0.01     0.02   0.03  -0.07
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.5239              1374.9912              1392.5346
 Red. masses --      1.4761                 1.3041                 1.9982
 Frc consts  --      1.6384                 1.4527                 2.2830
 IR Inten    --      0.5385                 2.9997                47.5217
 RamAct Fr= 1--      3.7957                20.7450                 3.9465
  Dep-P Fr= 1--      0.2307                 0.5385                 0.7494
  Dep-U Fr= 1--      0.3749                 0.7000                 0.8567
 Alpha2 Fr= 1--      0.0475                 0.0845                 0.0000
 Beta2  Fr= 1--      0.2372                 2.4204                 0.5635
 AlphaG Fr= 1--      0.1647                 0.1782                -0.0027
 Gamma2 Fr= 1--      2.8282                 1.9905                 1.5156
 Delta2 Fr= 1--      0.4408                -2.2796                -1.5811
 Raman1 Fr= 1--      15.183                 82.980                 15.786
 ROA1   Fr= 1--     285.610                118.140                 94.904
 CID1   Fr= 1--      18.812                  1.424                  6.012
 Raman2 Fr= 1--       2.846                 29.044                  6.762
 ROA2   Fr= 1--      64.350                 66.008                 49.023
 CID2   Fr= 1--      22.612                  2.273                  7.250
 Raman3 Fr= 1--       5.692                 58.089                 13.524
 ROA3   Fr= 1--     285.610                118.140                 94.904
 CID3   Fr= 1--      50.180                  2.034                  7.017
 RC180  Fr= 1--      -0.250                  0.400                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.01   0.00   0.01     0.03   0.00  -0.01
     2   6    -0.02   0.01   0.00     0.01   0.02   0.05    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.01    -0.03  -0.01  -0.01    -0.01  -0.00   0.01
     4   6    -0.00   0.00   0.01     0.01  -0.01  -0.03    -0.01   0.02   0.01
     5   6     0.01   0.00   0.00     0.03   0.00  -0.02     0.02   0.00  -0.00
     6   6    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.03  -0.02  -0.01
     7   6     0.09   0.00   0.03    -0.06   0.03   0.00     0.00  -0.00   0.00
     8   6    -0.10  -0.12  -0.04     0.07  -0.09   0.00    -0.01   0.00  -0.00
     9   6     0.04   0.00  -0.03    -0.01   0.01  -0.03     0.00  -0.00   0.00
    10   6    -0.00   0.03   0.04    -0.02   0.02  -0.01    -0.00  -0.00   0.00
    11   6     0.01   0.01  -0.01    -0.02  -0.02   0.02     0.08  -0.15   0.03
    12   6     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.11   0.15  -0.11
    13   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.02   0.03
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03  -0.05   0.01
    15   1    -0.01   0.01   0.01     0.18   0.01  -0.09    -0.11  -0.01   0.07
    16   1     0.01   0.01   0.00     0.18   0.11   0.10    -0.03   0.00  -0.00
    17   1     0.03   0.01  -0.01    -0.25  -0.02   0.13     0.01   0.03  -0.01
    18   1     0.04   0.03   0.02    -0.19  -0.11  -0.09     0.08   0.05   0.05
    19   1    -0.22   0.09  -0.08     0.40  -0.22   0.16    -0.03   0.02  -0.01
    20   1    -0.40   0.13  -0.20    -0.11   0.02   0.02     0.01   0.00  -0.01
    21   1     0.44   0.53   0.18    -0.34   0.52  -0.15     0.03  -0.02   0.01
    22   1    -0.08   0.06  -0.07     0.07  -0.04   0.01    -0.00   0.01  -0.00
    23   1    -0.07   0.09   0.17     0.01   0.08   0.03    -0.00   0.00   0.00
    24   1    -0.04   0.19   0.11    -0.00   0.01   0.08    -0.00   0.01   0.00
    25   1    -0.02  -0.08   0.02     0.08  -0.09   0.03    -0.00   0.00   0.00
    26   1     0.13   0.06  -0.04     0.05  -0.01   0.04     0.00   0.00  -0.00
    27   1     0.09  -0.03  -0.10    -0.00  -0.03  -0.06     0.00   0.00   0.00
    28   1    -0.05  -0.05   0.03     0.15   0.12  -0.08    -0.36   0.65  -0.17
    29   6    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.01   0.06   0.01
    30   1    -0.00   0.00  -0.01     0.00  -0.01   0.02     0.05  -0.15   0.42
    31   1     0.01   0.00   0.01    -0.02   0.00  -0.04    -0.07   0.01   0.00
    32   1     0.01   0.01  -0.01    -0.01   0.00   0.01     0.11  -0.18   0.08
    33   1    -0.00   0.00   0.01     0.00   0.01  -0.04     0.07  -0.16  -0.10
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4907              1415.8038              1422.8298
 Red. masses --      1.2574                 1.2217                 1.2354
 Frc consts  --      1.4593                 1.4428                 1.4735
 IR Inten    --      5.4388                11.4897                 6.3922
 RamAct Fr= 1--      0.0910                 0.9435                 1.4063
  Dep-P Fr= 1--      0.4842                 0.6025                 0.4316
  Dep-U Fr= 1--      0.6525                 0.7520                 0.6030
 Alpha2 Fr= 1--      0.0005                 0.0026                 0.0093
 Beta2  Fr= 1--      0.0099                 0.1182                 0.1413
 AlphaG Fr= 1--      0.0016                 0.0057                 0.0086
 Gamma2 Fr= 1--     -0.0837                -0.2792                -0.0145
 Delta2 Fr= 1--      0.0096                 0.0901                -0.1171
 Raman1 Fr= 1--       0.364                  3.774                  5.625
 ROA1   Fr= 1--      -7.725                -23.916                 -5.144
 CID1   Fr= 1--     -21.231                 -6.337                 -0.914
 Raman2 Fr= 1--       0.119                  1.419                  1.696
 ROA2   Fr= 1--      -2.086                 -7.421                  0.588
 CID2   Fr= 1--     -17.570                 -5.230                  0.347
 Raman3 Fr= 1--       0.237                  2.838                  3.392
 ROA3   Fr= 1--      -7.725                -23.916                 -5.144
 CID3   Fr= 1--     -32.540                 -8.427                 -1.516
 RC180  Fr= 1--       0.305                  0.504                  0.206
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.01  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.01  -0.01  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.01
     8   6     0.02   0.03   0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
     9   6    -0.01  -0.09  -0.03    -0.00  -0.00  -0.00     0.00  -0.10  -0.04
    10   6    -0.10  -0.05  -0.01    -0.00  -0.00  -0.00     0.09   0.03  -0.00
    11   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00   0.00    -0.01   0.02  -0.02     0.00  -0.00   0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.04  -0.00   0.02    -0.00  -0.00   0.00
    16   1    -0.01  -0.01  -0.01    -0.03  -0.02  -0.01     0.00   0.00   0.00
    17   1     0.01   0.00  -0.01    -0.01  -0.00   0.02    -0.01  -0.00   0.00
    18   1     0.00   0.00   0.00     0.02   0.01   0.02     0.00  -0.00   0.00
    19   1     0.01   0.02   0.00    -0.02   0.00  -0.01     0.07   0.02   0.02
    20   1     0.07  -0.02   0.02     0.02  -0.00  -0.00     0.10  -0.01   0.01
    21   1    -0.04  -0.09  -0.02     0.00  -0.01   0.00    -0.02  -0.02  -0.00
    22   1     0.08   0.38   0.00     0.00   0.00  -0.00     0.04   0.42  -0.02
    23   1     0.12   0.28   0.21    -0.00   0.00   0.00     0.09   0.30   0.27
    24   1    -0.16   0.31   0.13    -0.00   0.00   0.00    -0.17   0.34   0.16
    25   1     0.35   0.19   0.18    -0.00   0.00  -0.00    -0.33  -0.11  -0.18
    26   1     0.41  -0.02  -0.06     0.00  -0.00  -0.00    -0.38   0.00   0.06
    27   1     0.30   0.29  -0.06    -0.00   0.00   0.00    -0.28  -0.23   0.12
    28   1    -0.00  -0.01   0.00    -0.04   0.04  -0.01     0.00  -0.00   0.00
    29   6    -0.00   0.00  -0.00    -0.01  -0.10   0.09     0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.01  -0.02   0.05    -0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.21   0.24  -0.50    -0.00  -0.00   0.00
    32   1    -0.00  -0.00   0.00     0.09   0.54  -0.18    -0.00  -0.00   0.00
    33   1     0.00  -0.00   0.00    -0.14   0.35  -0.38     0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1459.9011              1485.5744              1490.2132
 Red. masses --      2.4884                 1.0756                 1.0458
 Frc consts  --      3.1248                 1.3986                 1.3683
 IR Inten    --      8.3335                 0.4701                 2.2054
 RamAct Fr= 1--      0.4835                 1.6833                10.4301
  Dep-P Fr= 1--      0.6176                 0.6570                 0.7293
  Dep-U Fr= 1--      0.7636                 0.7930                 0.8435
 Alpha2 Fr= 1--      0.0012                 0.0028                 0.0037
 Beta2  Fr= 1--      0.0615                 0.2225                 1.4663
 AlphaG Fr= 1--     -0.0225                 0.0318                -0.0064
 Gamma2 Fr= 1--     -3.0270                 1.2453                 4.5436
 Delta2 Fr= 1--      1.4996                -0.2398                 0.7796
 Raman1 Fr= 1--       1.934                  6.733                 41.720
 ROA1   Fr= 1--    -242.607                111.878                461.133
 CID1   Fr= 1--    -125.454                 16.616                 11.053
 Raman2 Fr= 1--       0.738                  2.670                 17.595
 ROA2   Fr= 1--     -84.646                 31.807                102.810
 CID2   Fr= 1--    -114.645                 11.914                  5.843
 Raman3 Fr= 1--       1.477                  5.339                 35.190
 ROA3   Fr= 1--    -242.607                111.878                461.133
 CID3   Fr= 1--    -164.294                 20.954                 13.104
 RC180  Fr= 1--       0.527                  0.586                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.05  -0.03    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.02   0.06   0.14     0.01  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.13   0.03  -0.04    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.01   0.06   0.14     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.14  -0.05  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.14   0.03  -0.04     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.04    -0.04  -0.04   0.02     0.01   0.02  -0.01
     8   6     0.00  -0.01  -0.00     0.01   0.01   0.00    -0.01  -0.00  -0.01
     9   6    -0.00  -0.00   0.00     0.03   0.00   0.01    -0.00  -0.01   0.03
    10   6     0.00   0.01   0.00    -0.02   0.03  -0.01    -0.00   0.01  -0.04
    11   6     0.04  -0.01  -0.04     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.01   0.02  -0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.26  -0.03  -0.25    -0.00  -0.00  -0.00    -0.01   0.00   0.00
    16   1    -0.24  -0.19  -0.26    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1     0.31  -0.02  -0.28    -0.00  -0.00  -0.00    -0.01   0.00   0.01
    18   1    -0.22  -0.17  -0.25    -0.02  -0.01  -0.01     0.01   0.00   0.01
    19   1     0.23  -0.07   0.05     0.14   0.43   0.08    -0.05  -0.17  -0.03
    20   1    -0.19  -0.02   0.06     0.22   0.10  -0.38    -0.08  -0.04   0.15
    21   1    -0.02   0.02  -0.01    -0.03  -0.00  -0.02     0.05   0.03   0.02
    22   1    -0.01  -0.01  -0.00    -0.33   0.08  -0.13    -0.12  -0.22  -0.02
    23   1     0.03   0.03  -0.00    -0.16   0.04   0.23     0.30   0.19  -0.09
    24   1    -0.01   0.03  -0.03     0.07  -0.13  -0.19    -0.10   0.22  -0.37
    25   1     0.03  -0.04   0.01     0.12  -0.38   0.03    -0.18  -0.23  -0.11
    26   1    -0.04   0.01  -0.00    -0.11  -0.10   0.27     0.13  -0.19   0.45
    27   1     0.01  -0.04  -0.05     0.19   0.07  -0.16     0.06   0.33   0.25
    28   1    -0.35  -0.05   0.08    -0.01  -0.00   0.00     0.01   0.00  -0.01
    29   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.01  -0.01   0.04     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.03   0.02  -0.00     0.00   0.00   0.00     0.04   0.03   0.04
    32   1     0.08   0.03  -0.02     0.01  -0.00  -0.00     0.03  -0.04   0.00
    33   1    -0.01   0.00  -0.07    -0.00   0.00  -0.00    -0.02   0.04  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.0794              1497.6632              1498.7268
 Red. masses --      1.0467                 1.0758                 1.0553
 Frc consts  --      1.3729                 1.4217                 1.3966
 IR Inten    --      4.2664                 2.4718                 9.2938
 RamAct Fr= 1--      4.2374                 3.8362                 4.2357
  Dep-P Fr= 1--      0.6174                 0.7115                 0.6557
  Dep-U Fr= 1--      0.7634                 0.8314                 0.7921
 Alpha2 Fr= 1--      0.0103                 0.0026                 0.0071
 Beta2  Fr= 1--      0.5392                 0.5316                 0.5592
 AlphaG Fr= 1--      0.0014                 0.0189                 0.0594
 Gamma2 Fr= 1--     -2.5088                 2.2098                -0.5142
 Delta2 Fr= 1--     -2.4037                -0.0087                 1.0234
 Raman1 Fr= 1--      16.950                 15.345                 16.943
 ROA1   Fr= 1--    -317.763                211.860                -16.618
 CID1   Fr= 1--     -18.748                 13.807                 -0.981
 Raman2 Fr= 1--       6.470                  6.379                  6.710
 ROA2   Fr= 1--     -40.981                 53.105                -20.529
 CID2   Fr= 1--      -6.334                  8.325                 -3.060
 Raman3 Fr= 1--      12.940                 12.758                 13.420
 ROA3   Fr= 1--    -317.763                211.860                -16.618
 CID3   Fr= 1--     -24.557                 16.606                 -1.238
 RC180  Fr= 1--       0.527                  0.663                  0.584
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00   0.01    -0.00  -0.00  -0.01
     3   6     0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
     5   6     0.01   0.00  -0.01    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.01     0.01   0.00   0.00    -0.00   0.00   0.00
     7   6     0.00   0.00   0.00    -0.03  -0.04   0.03     0.01   0.01  -0.00
     8   6     0.00   0.00   0.00    -0.02  -0.02  -0.01     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.03   0.01  -0.00     0.01  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.01  -0.02  -0.01    -0.00   0.00   0.00
    11   6    -0.02  -0.01  -0.01    -0.00   0.00  -0.00    -0.02   0.03   0.01
    12   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.02  -0.00   0.01     0.01  -0.00  -0.01    -0.00   0.00   0.01
    16   1    -0.01  -0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01   0.00
    17   1    -0.03  -0.00   0.02     0.00  -0.00  -0.01    -0.01  -0.00   0.01
    18   1    -0.02  -0.01  -0.01    -0.03  -0.01  -0.02     0.00   0.00   0.01
    19   1     0.00   0.01   0.00     0.14   0.44   0.08    -0.03  -0.08  -0.02
    20   1     0.01   0.00  -0.00     0.16   0.12  -0.42    -0.02  -0.02   0.07
    21   1    -0.01  -0.01  -0.00     0.03   0.07   0.01    -0.01  -0.01  -0.00
    22   1     0.00   0.02  -0.00     0.34  -0.13   0.13    -0.06   0.03  -0.02
    23   1    -0.03  -0.01   0.02     0.16  -0.06  -0.27    -0.03   0.01   0.05
    24   1     0.01  -0.02   0.03    -0.06   0.12   0.18     0.01  -0.03  -0.03
    25   1     0.02   0.02   0.01    -0.20   0.19  -0.08     0.02  -0.02   0.01
    26   1    -0.02   0.02  -0.05     0.20  -0.03   0.03    -0.02   0.00  -0.01
    27   1    -0.00  -0.04  -0.03    -0.11   0.14   0.27     0.01  -0.02  -0.03
    28   1     0.04   0.04  -0.05    -0.01  -0.01   0.01     0.05  -0.07   0.03
    29   6    -0.04  -0.02  -0.02    -0.01   0.00   0.00    -0.03   0.02   0.03
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.02
    31   1     0.48   0.27   0.42    -0.02  -0.03   0.05    -0.22  -0.20   0.25
    32   1     0.34  -0.39   0.05     0.11   0.01  -0.03     0.58   0.11  -0.15
    33   1    -0.17   0.43  -0.11     0.01  -0.04  -0.10     0.11  -0.33  -0.55
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.1739              1511.0182              1551.5886
 Red. masses --      1.0528                 1.0511                 2.4409
 Frc consts  --      1.4035                 1.4139                 3.4623
 IR Inten    --      4.5950                12.1915                25.5528
 RamAct Fr= 1--      7.4427                 1.0554                 0.7935
  Dep-P Fr= 1--      0.7379                 0.4771                 0.6007
  Dep-U Fr= 1--      0.8492                 0.6460                 0.7505
 Alpha2 Fr= 1--      0.0015                 0.0058                 0.0022
 Beta2  Fr= 1--      1.0534                 0.1136                 0.0993
 AlphaG Fr= 1--      0.0066                -0.0067                 0.0149
 Gamma2 Fr= 1--     -0.6346                -1.4830                -0.1743
 Delta2 Fr= 1--      0.1221                -0.3260                -0.4128
 Raman1 Fr= 1--      29.771                  4.222                  3.174
 ROA1   Fr= 1--     -57.020               -152.795                -29.942
 CID1   Fr= 1--      -1.915                -36.193                 -9.433
 Raman2 Fr= 1--      12.641                  1.364                  1.191
 ROA2   Fr= 1--     -16.208                -32.983                 -0.881
 CID2   Fr= 1--      -1.282                -24.189                 -0.739
 Raman3 Fr= 1--      25.281                  2.727                  2.382
 ROA3   Fr= 1--     -57.020               -152.795                -29.942
 CID3   Fr= 1--      -2.255                -56.027                -12.569
 RC180  Fr= 1--       0.698                  0.292                  0.501
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.10   0.01   0.10
     2   6    -0.00   0.00   0.00    -0.01   0.00   0.00     0.15   0.04  -0.01
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.09  -0.07  -0.10
     4   6    -0.00   0.00   0.01    -0.00   0.00   0.00     0.15   0.05   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.10   0.01   0.09
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.08  -0.06  -0.09
     7   6    -0.00   0.01  -0.00     0.01   0.01  -0.00    -0.03  -0.01   0.00
     8   6     0.03  -0.02  -0.01    -0.01   0.02  -0.03    -0.00   0.00  -0.00
     9   6     0.03   0.01  -0.01    -0.01   0.01  -0.03     0.00   0.00  -0.00
    10   6     0.00  -0.03  -0.02    -0.01   0.01  -0.02     0.00  -0.00   0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03  -0.01  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.01
    13   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.43   0.06  -0.18
    16   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.00     0.43   0.21   0.17
    17   1     0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.40   0.06  -0.17
    18   1    -0.01  -0.01  -0.01    -0.01  -0.00  -0.01     0.37   0.17   0.14
    19   1     0.04  -0.04   0.01    -0.02  -0.13  -0.02    -0.04  -0.03  -0.00
    20   1    -0.03   0.00   0.01    -0.07  -0.03   0.11    -0.04  -0.01   0.02
    21   1    -0.02   0.04  -0.03     0.06  -0.06  -0.01     0.01  -0.00   0.00
    22   1    -0.32   0.19  -0.13     0.30   0.24   0.09     0.00   0.01  -0.00
    23   1    -0.31  -0.02   0.31    -0.27  -0.26  -0.02    -0.01  -0.01   0.00
    24   1     0.13  -0.26  -0.05     0.07  -0.18   0.50     0.01  -0.01   0.01
    25   1    -0.29   0.34  -0.11    -0.06  -0.32  -0.05    -0.00  -0.01  -0.00
    26   1     0.32  -0.02  -0.01     0.01  -0.16   0.39    -0.00  -0.01   0.01
    27   1    -0.20   0.18   0.41     0.14   0.23   0.06     0.01   0.01  -0.00
    28   1    -0.01   0.00   0.00    -0.00  -0.00   0.00    -0.05   0.00   0.00
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
    31   1     0.01   0.00  -0.01     0.00   0.00   0.00     0.05   0.03   0.03
    32   1    -0.01  -0.00   0.00     0.00  -0.00   0.00     0.04  -0.03   0.00
    33   1    -0.00   0.01   0.01    -0.00   0.00  -0.00    -0.02   0.05  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.3602              1658.3011              1805.6964
 Red. masses --      6.0484                 5.7958                 9.5418
 Frc consts  --      9.3334                 9.3905                18.3304
 IR Inten    --      0.2528                 1.5838               271.3876
 RamAct Fr= 1--      1.8583               130.6848                17.3486
  Dep-P Fr= 1--      0.7241                 0.4706                 0.1692
  Dep-U Fr= 1--      0.8400                 0.6400                 0.2894
 Alpha2 Fr= 1--      0.0008                 0.7358                 0.2554
 Beta2  Fr= 1--      0.2601                13.9390                 0.8367
 AlphaG Fr= 1--      0.0138                 0.3151                -0.4269
 Gamma2 Fr= 1--      0.1503                 4.9776                -1.3432
 Delta2 Fr= 1--     -0.0866                 0.5441                 0.9165
 Raman1 Fr= 1--       7.433                522.739                 69.394
 ROA1   Fr= 1--      11.655                495.263                -99.615
 CID1   Fr= 1--       1.568                  0.947                 -1.435
 Raman2 Fr= 1--       3.122                167.268                 10.041
 ROA2   Fr= 1--       4.299                115.111                -39.568
 CID2   Fr= 1--       1.377                  0.688                 -3.941
 Raman3 Fr= 1--       6.243                334.535                 20.082
 ROA3   Fr= 1--      11.655                495.263                -99.615
 CID3   Fr= 1--       1.867                  1.480                 -4.960
 RC180  Fr= 1--       0.680                  0.280                 -0.421
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.05   0.19     0.29   0.06  -0.08     0.01  -0.00  -0.01
     2   6     0.01  -0.13  -0.32    -0.20  -0.06  -0.00    -0.00   0.00   0.00
     3   6    -0.07  -0.10  -0.18    -0.27  -0.11  -0.06    -0.01  -0.00   0.00
     4   6    -0.04   0.12   0.33     0.18   0.05  -0.01     0.02   0.01  -0.01
     5   6     0.12  -0.05  -0.21    -0.27  -0.05   0.08    -0.01  -0.00   0.01
     6   6     0.08   0.11   0.20     0.26   0.11   0.07     0.01   0.00  -0.00
     7   6     0.01   0.02   0.04     0.03   0.01  -0.00     0.00   0.00  -0.00
     8   6     0.00   0.01   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6     0.02  -0.01  -0.04    -0.02  -0.01   0.00     0.01  -0.04  -0.04
    12   6    -0.00   0.01   0.00    -0.00   0.00  -0.02    -0.25   0.26   0.61
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.01     0.14  -0.14  -0.40
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.02  -0.06
    15   1     0.27   0.08  -0.01    -0.30   0.01   0.25    -0.01  -0.00   0.01
    16   1     0.27   0.09  -0.01     0.26   0.19   0.24    -0.03   0.01  -0.01
    17   1    -0.32  -0.09   0.03     0.27  -0.00  -0.22     0.02  -0.00  -0.01
    18   1    -0.31  -0.10  -0.01    -0.25  -0.16  -0.21    -0.00  -0.01  -0.01
    19   1    -0.23  -0.05  -0.05     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    20   1     0.16   0.00   0.02     0.03   0.00   0.01    -0.00  -0.00   0.00
    21   1    -0.01   0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
    22   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    23   1     0.01   0.01  -0.00     0.01   0.01   0.01    -0.00  -0.00   0.00
    24   1    -0.00   0.01  -0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    25   1     0.02  -0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.02   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    27   1     0.01  -0.01  -0.02    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    28   1    -0.27  -0.05   0.06    -0.02   0.01  -0.00     0.17  -0.16  -0.01
    29   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    30   1     0.00  -0.00   0.01     0.00   0.00  -0.01     0.04  -0.14   0.45
    31   1     0.01   0.01  -0.00     0.02   0.01  -0.00     0.03   0.05  -0.10
    32   1    -0.01  -0.02   0.01     0.02   0.00  -0.00    -0.04   0.05   0.01
    33   1    -0.00   0.02   0.02    -0.01   0.02  -0.02    -0.03   0.03   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.8332              3018.5224              3020.2666
 Red. masses --      1.0811                 1.0499                 1.0407
 Frc consts  --      5.7474                 5.6362                 5.5935
 IR Inten    --      3.1551                 8.3143                41.9392
 RamAct Fr= 1--    136.5818                12.6330                25.4256
  Dep-P Fr= 1--      0.1824                 0.6032                 0.3049
  Dep-U Fr= 1--      0.3085                 0.7525                 0.4673
 Alpha2 Fr= 1--      1.9429                 0.0343                 0.2570
 Beta2  Fr= 1--      7.0216                 1.5844                 1.9801
 AlphaG Fr= 1--      0.8861                 0.1317                -0.2532
 Gamma2 Fr= 1--      9.3095                -5.2963                 0.1147
 Delta2 Fr= 1--      5.9923                -1.5979                -2.9094
 Raman1 Fr= 1--     546.327                 50.532                101.702
 ROA1   Fr= 1--    1085.462               -559.579                -82.086
 CID1   Fr= 1--       1.987                -11.074                 -0.807
 Raman2 Fr= 1--      84.259                 19.013                 23.761
 ROA2   Fr= 1--     175.488               -114.329                 26.029
 CID2   Fr= 1--       2.083                 -6.013                  1.095
 Raman3 Fr= 1--     168.518                 38.026                 47.523
 ROA3   Fr= 1--    1085.462               -559.579                -82.086
 CID3   Fr= 1--       6.441                -14.716                 -1.727
 RC180  Fr= 1--      -0.383                  0.505                 -0.065
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.00   0.02    -0.02  -0.04   0.02    -0.01  -0.02   0.01
     8   6     0.03   0.00  -0.07    -0.00  -0.00   0.01     0.00   0.00   0.00
     9   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.01  -0.03  -0.03
    10   6    -0.00   0.00   0.01     0.03   0.01  -0.01    -0.03  -0.01   0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00    -0.01   0.00   0.01    -0.00  -0.00   0.00
    19   1     0.08   0.00  -0.23     0.17  -0.00  -0.50     0.09  -0.00  -0.27
    20   1    -0.00   0.02   0.01     0.05   0.51   0.21     0.02   0.25   0.11
    21   1    -0.34  -0.02   0.88     0.04   0.00  -0.09     0.00  -0.00  -0.01
    22   1     0.06  -0.00  -0.17    -0.02   0.00   0.06    -0.19   0.00   0.52
    23   1    -0.01   0.00  -0.00    -0.01   0.01  -0.01    -0.21   0.21  -0.21
    24   1    -0.00  -0.00   0.00     0.02   0.01  -0.00     0.27   0.10  -0.01
    25   1     0.05   0.01  -0.12    -0.17  -0.02   0.41     0.15   0.01  -0.36
    26   1     0.00  -0.04  -0.01     0.00  -0.31  -0.13    -0.00   0.27   0.11
    27   1    -0.02   0.02  -0.02    -0.17   0.18  -0.17     0.17  -0.17   0.16
    28   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.8157              3047.1468              3056.3522
 Red. masses --      1.0439                 1.0355                 1.1034
 Frc consts  --      5.6348                 5.6649                 6.0726
 IR Inten    --     49.2014                23.6922                15.5965
 RamAct Fr= 1--    410.6446               209.4232                27.4562
  Dep-P Fr= 1--      0.0094                 0.0616                 0.7275
  Dep-U Fr= 1--      0.0187                 0.1160                 0.8423
 Alpha2 Fr= 1--      8.9263                 4.0238                 0.0106
 Beta2  Fr= 1--      1.2800                 4.0503                 3.8542
 AlphaG Fr= 1--     -1.2356                -0.3393                -0.1247
 Gamma2 Fr= 1--     -1.3293                -0.1886                -0.8764
 Delta2 Fr= 1--     -0.0073                 3.3377                 1.2321
 Raman1 Fr= 1--    1642.578                837.693                109.825
 ROA1   Fr= 1--    -127.845                 88.702                -44.712
 CID1   Fr= 1--      -0.078                  0.106                 -0.407
 Raman2 Fr= 1--      15.360                 48.603                 46.251
 ROA2   Fr= 1--     -31.844                -31.227                -30.891
 CID2   Fr= 1--      -2.073                 -0.642                 -0.668
 Raman3 Fr= 1--      30.720                 97.206                 92.502
 ROA3   Fr= 1--    -127.845                 88.702                -44.712
 CID3   Fr= 1--      -4.162                  0.913                 -0.483
 RC180  Fr= 1--      -0.963                 -0.768                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.01   0.03  -0.01     0.00   0.00  -0.00     0.01  -0.05  -0.07
     8   6     0.01   0.00  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     9   6     0.01  -0.03  -0.02    -0.00  -0.00  -0.00    -0.00  -0.01   0.01
    10   6     0.02   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.01
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.01
    16   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    17   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    19   1    -0.09   0.00   0.26    -0.00   0.00   0.00    -0.23  -0.02   0.66
    20   1    -0.03  -0.34  -0.14    -0.00  -0.00  -0.00     0.06   0.62   0.24
    21   1    -0.07  -0.00   0.18    -0.00  -0.00   0.00    -0.05  -0.00   0.13
    22   1    -0.17   0.00   0.47    -0.00   0.00   0.00     0.01   0.00  -0.04
    23   1    -0.21   0.20  -0.20     0.00  -0.00   0.00    -0.05   0.05  -0.04
    24   1     0.27   0.11  -0.01     0.00   0.00  -0.00     0.04   0.02   0.00
    25   1    -0.13  -0.01   0.31    -0.00  -0.00   0.00     0.04   0.01  -0.09
    26   1     0.00  -0.28  -0.12     0.00  -0.00  -0.00     0.00  -0.11  -0.04
    27   1    -0.17   0.17  -0.16    -0.00   0.00  -0.00    -0.03   0.03  -0.02
    28   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03    -0.00  -0.00  -0.00
    29   6     0.00   0.00  -0.00    -0.02  -0.04   0.02    -0.00  -0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.35   0.44   0.12    -0.00   0.00   0.00
    32   1     0.00   0.00   0.00    -0.10  -0.17  -0.42    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00  -0.00     0.64   0.20   0.02     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3071.0378              3077.6981              3084.2832
 Red. masses --      1.0840                 1.0993                 1.0992
 Frc consts  --      6.0238                 6.1353                 6.1610
 IR Inten    --      6.9053                10.4291                56.4491
 RamAct Fr= 1--     65.6958                21.6708               110.9747
  Dep-P Fr= 1--      0.1921                 0.7380                 0.4522
  Dep-U Fr= 1--      0.3223                 0.8493                 0.6227
 Alpha2 Fr= 1--      0.9109                 0.0044                 0.6744
 Beta2  Fr= 1--      3.5292                 3.0673                11.5180
 AlphaG Fr= 1--     -0.3611                -0.0237                -1.0764
 Gamma2 Fr= 1--     -3.3280                -9.3119                 4.8220
 Delta2 Fr= 1--     -2.0371                 3.4983               -16.0524
 Raman1 Fr= 1--     262.783                 86.683                443.899
 ROA1   Fr= 1--    -384.674               -781.995                -50.766
 CID1   Fr= 1--      -1.464                 -9.021                 -0.114
 Raman2 Fr= 1--      42.351                 36.808                138.216
 ROA2   Fr= 1--     -63.575               -251.472                244.146
 CID2   Fr= 1--      -1.501                 -6.832                  1.766
 Raman3 Fr= 1--      84.701                 73.616                276.432
 ROA3   Fr= 1--    -384.674               -781.995                -50.766
 CID3   Fr= 1--      -4.542                -10.623                 -0.184
 RC180  Fr= 1--      -0.355                  0.699                  0.245
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.02
     9   6    -0.00  -0.00   0.00    -0.00  -0.03   0.05    -0.00   0.03  -0.06
    10   6     0.00   0.00   0.00    -0.00  -0.01  -0.07     0.01  -0.03  -0.05
    11   6    -0.02  -0.03  -0.07    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    16   1    -0.00   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    17   1    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.01
    19   1    -0.00  -0.00   0.00    -0.01  -0.00   0.03    -0.04  -0.01   0.11
    20   1    -0.00  -0.00  -0.00     0.00   0.03   0.01     0.01   0.09   0.03
    21   1    -0.00  -0.00   0.00    -0.01  -0.00   0.03    -0.07  -0.00   0.19
    22   1    -0.00  -0.00   0.00     0.14  -0.01  -0.36    -0.16   0.02   0.41
    23   1    -0.00   0.00  -0.00    -0.29   0.29  -0.27     0.32  -0.31   0.29
    24   1     0.00   0.00  -0.00     0.16   0.06   0.01    -0.15  -0.06  -0.01
    25   1     0.00   0.00  -0.00    -0.21  -0.02   0.50    -0.17  -0.03   0.40
    26   1     0.00  -0.00  -0.00     0.00   0.35   0.13     0.00   0.44   0.18
    27   1    -0.00   0.00  -0.00     0.22  -0.22   0.19     0.06  -0.06   0.04
    28   1     0.23   0.34   0.89     0.00   0.00   0.00     0.00   0.00   0.00
    29   6     0.01   0.01   0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.03  -0.06  -0.15    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.04  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.0213              3103.5091              3110.7840
 Red. masses --      1.1014                 1.1002                 1.1023
 Frc consts  --      6.1961                 6.2436                 6.2849
 IR Inten    --     41.9023                34.0411                27.5370
 RamAct Fr= 1--    113.8905                50.1104                96.7247
  Dep-P Fr= 1--      0.6600                 0.7010                 0.6786
  Dep-U Fr= 1--      0.7952                 0.8242                 0.8086
 Alpha2 Fr= 1--      0.1830                 0.0428                 0.1218
 Beta2  Fr= 1--     15.0935                 6.8835                13.0345
 AlphaG Fr= 1--     -0.0190                -0.1561                 0.0786
 Gamma2 Fr= 1--      6.1689                -8.7855                -1.5209
 Delta2 Fr= 1--     11.2145                -0.7801                -3.7154
 Raman1 Fr= 1--     455.562                200.442                386.899
 ROA1   Fr= 1--     951.077               -868.375               -264.903
 CID1   Fr= 1--       2.088                 -4.332                 -0.685
 Raman2 Fr= 1--     181.122                 82.602                156.414
 ROA2   Fr= 1--      58.337               -204.612                 -6.778
 CID2   Fr= 1--       0.322                 -2.477                 -0.043
 Raman3 Fr= 1--     362.243                165.204                312.828
 ROA3   Fr= 1--     951.077               -868.375               -264.903
 CID3   Fr= 1--       2.626                 -5.256                 -0.847
 RC180  Fr= 1--       0.590                  0.648                  0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.01   0.02    -0.09  -0.01  -0.01     0.00   0.00   0.00
    10   6     0.03  -0.08   0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    20   1     0.00   0.02   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.02   0.00  -0.05     0.01  -0.00  -0.03    -0.00   0.00   0.00
    22   1     0.04  -0.00  -0.12     0.04  -0.00  -0.17    -0.00   0.00   0.00
    23   1    -0.08   0.08  -0.08     0.24  -0.26   0.25    -0.00   0.00  -0.00
    24   1     0.08   0.03   0.00     0.81   0.34  -0.00    -0.01  -0.00   0.00
    25   1     0.05  -0.01  -0.10     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.01   0.53   0.23    -0.00  -0.02  -0.01     0.00  -0.00  -0.00
    27   1    -0.46   0.44  -0.44     0.02  -0.02   0.02    -0.00   0.00  -0.00
    28   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.02   0.05
    29   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.09   0.02  -0.00
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.40  -0.53  -0.14
    32   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.07   0.18
    33   1     0.00   0.00   0.00     0.01   0.00   0.00     0.67   0.23   0.01
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.5770              3160.0843              3160.7705
 Red. masses --      1.1014                 1.0875                 1.0868
 Frc consts  --      6.3556                 6.3984                 6.3973
 IR Inten    --     12.7840                19.3846                 3.1612
 RamAct Fr= 1--     26.0091                13.2135                95.0679
  Dep-P Fr= 1--      0.6760                 0.1490                 0.6888
  Dep-U Fr= 1--      0.8067                 0.2593                 0.8157
 Alpha2 Fr= 1--      0.0340                 0.2048                 0.1021
 Beta2  Fr= 1--      3.4968                 0.5711                12.9248
 AlphaG Fr= 1--     -0.0039                 0.1582                 0.1164
 Gamma2 Fr= 1--      0.3464                 1.0603                -3.2602
 Delta2 Fr= 1--      1.8974                 0.7121                 0.9838
 Raman1 Fr= 1--     104.036                 52.854                380.272
 ROA1   Fr= 1--      93.970                124.580               -281.498
 CID1   Fr= 1--       0.903                  2.357                 -0.740
 Raman2 Fr= 1--      41.962                  6.853                155.098
 ROA2   Fr= 1--      -6.866                 19.751                -86.115
 CID2   Fr= 1--      -0.164                  2.882                 -0.555
 Raman3 Fr= 1--      83.923                 13.706                310.195
 ROA3   Fr= 1--      93.970                124.580               -281.498
 CID3   Fr= 1--       1.120                  9.089                 -0.907
 RC180  Fr= 1--       0.613                 -0.481                  0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.03  -0.03  -0.05    -0.02  -0.02  -0.03
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.01   0.01   0.02    -0.01   0.00   0.01
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.02  -0.03     0.02   0.02   0.04
     6   6     0.00  -0.00  -0.00    -0.02   0.01   0.03     0.03  -0.01  -0.04
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00   0.01   0.01     0.31   0.36   0.61     0.20   0.24   0.40
    16   1     0.02  -0.01  -0.03     0.17  -0.06  -0.26     0.10  -0.04  -0.16
    17   1    -0.01  -0.01  -0.01     0.16   0.18   0.33    -0.23  -0.25  -0.45
    18   1    -0.00   0.00   0.00     0.20  -0.06  -0.30    -0.33   0.10   0.50
    19   1    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.01  -0.00   0.01
    20   1     0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.01   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    22   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.01
    23   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    28   1     0.04   0.05   0.14     0.00   0.00   0.01    -0.01  -0.01  -0.02
    29   6    -0.01  -0.06  -0.07     0.00   0.00   0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    31   1    -0.28   0.34   0.08     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    32   1     0.18   0.29   0.78    -0.00  -0.00  -0.01    -0.00  -0.01  -0.02
    33   1     0.18   0.05  -0.01    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3177.2789              3183.8238              3723.2643
 Red. masses --      1.0937                 1.0931                 1.0639
 Frc consts  --      6.5051                 6.5285                 8.6899
 IR Inten    --     17.6225                 2.4970                65.6834
 RamAct Fr= 1--    107.0133               122.5583               134.0571
  Dep-P Fr= 1--      0.1430                 0.1338                 0.2475
  Dep-U Fr= 1--      0.2503                 0.2360                 0.3968
 Alpha2 Fr= 1--      1.6838                 1.9738                 1.5999
 Beta2  Fr= 1--      4.4634                 4.8197                 8.8660
 AlphaG Fr= 1--     -0.9024                 0.0529                -0.2480
 Gamma2 Fr= 1--     -5.8008                 4.5858                -4.9016
 Delta2 Fr= 1--     -2.3833                 1.0814                 0.2322
 Raman1 Fr= 1--     428.053                490.233                536.229
 ROA1   Fr= 1--    -633.139                474.841               -463.119
 CID1   Fr= 1--      -1.479                  0.969                 -0.864
 Raman2 Fr= 1--      53.561                 57.836                106.392
 ROA2   Fr= 1--    -120.152                101.407               -119.495
 CID2   Fr= 1--      -2.243                  1.753                 -1.123
 Raman3 Fr= 1--     107.122                115.672                212.784
 ROA3   Fr= 1--    -633.139                474.841               -463.119
 CID3   Fr= 1--      -5.910                  4.105                 -2.176
 RC180  Fr= 1--      -0.499                 -0.528                 -0.206
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.02  -0.02  -0.03     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.01  -0.00  -0.01     0.04  -0.01  -0.07    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.03  -0.03  -0.05     0.00   0.00   0.01     0.00   0.00  -0.00
     6   6     0.03  -0.01  -0.05    -0.01   0.00   0.01     0.00  -0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.05  -0.02
    15   1     0.01   0.01   0.01     0.15   0.17   0.29    -0.00  -0.00  -0.00
    16   1    -0.09   0.03   0.13    -0.49   0.17   0.75     0.00   0.00   0.00
    17   1     0.29   0.31   0.56    -0.04  -0.04  -0.08     0.00   0.00   0.00
    18   1    -0.37   0.12   0.57     0.06  -0.02  -0.10    -0.00   0.00   0.00
    19   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.01   0.01   0.02    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.54   0.80   0.24
    31   1    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    32   1     0.00   0.00   0.01     0.01   0.01   0.03     0.00  -0.00   0.00
    33   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1165.557297383.385407460.60428
           X            0.99997   0.00786   0.00163
           Y           -0.00785   0.99995  -0.00648
           Z           -0.00168   0.00646   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07431     0.01173     0.01161
 Rotational constants (GHZ):           1.54839     0.24443     0.24190
 Zero-point vibrational energy     745942.0 (Joules/Mol)
                                  178.28441 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     34.95    55.20    66.41    72.39   101.38
          (Kelvin)            136.84   256.49   291.02   319.25   329.62
                              346.11   363.50   414.20   464.98   501.54
                              554.47   591.41   602.26   611.02   688.10
                              735.65   849.64   888.63   923.42   957.43
                             1028.92  1097.43  1148.58  1190.53  1206.52
                             1228.03  1230.53  1259.33  1291.31  1347.62
                             1372.41  1384.47  1398.70  1405.71  1459.29
                             1505.11  1560.07  1578.46  1592.10  1638.54
                             1651.78  1671.33  1717.68  1743.52  1759.28
                             1779.33  1795.04  1841.78  1883.80  1898.26
                             1941.96  1962.02  1974.76  1978.31  2003.55
                             2019.31  2037.03  2047.13  2100.47  2137.41
                             2144.08  2146.77  2154.80  2156.33  2164.17
                             2174.02  2232.39  2328.46  2385.93  2597.99
                             4321.85  4342.98  4345.49  4354.91  4384.16
                             4397.41  4418.54  4428.12  4437.60  4445.85
                             4465.26  4475.72  4502.76  4546.66  4547.64
                             4571.40  4580.81  5356.95
 
 Zero-point correction=                           0.284114 (Hartree/Particle)
 Thermal correction to Energy=                    0.299817
 Thermal correction to Enthalpy=                  0.300761
 Thermal correction to Gibbs Free Energy=         0.239359
 Sum of electronic and zero-point Energies=           -656.740262
 Sum of electronic and thermal Energies=              -656.724559
 Sum of electronic and thermal Enthalpies=            -656.723615
 Sum of electronic and thermal Free Energies=         -656.785017
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.138             58.751            129.232
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.529
 Vibrational            186.361             52.790             54.829
 Vibration     1          0.593              1.985              6.248
 Vibration     2          0.594              1.982              5.342
 Vibration     3          0.595              1.979              4.976
 Vibration     4          0.595              1.977              4.805
 Vibration     5          0.598              1.968              4.140
 Vibration     6          0.603              1.953              3.552
 Vibration     7          0.629              1.869              2.346
 Vibration     8          0.639              1.837              2.112
 Vibration     9          0.648              1.808              1.944
 Vibration    10          0.652              1.797              1.886
 Vibration    11          0.658              1.778              1.799
 Vibration    12          0.664              1.758              1.712
 Vibration    13          0.685              1.696              1.486
 Vibration    14          0.708              1.629              1.294
 Vibration    15          0.726              1.578              1.173
 Vibration    16          0.754              1.501              1.018
 Vibration    17          0.775              1.446              0.923
 Vibration    18          0.781              1.430              0.897
 Vibration    19          0.787              1.417              0.876
 Vibration    20          0.835              1.298              0.715
 Vibration    21          0.866              1.225              0.630
 Vibration    22          0.948              1.052              0.466
 Vibration    23          0.977              0.995              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.799330-110       -110.097274       -253.508342
 Total V=0       0.385578D+21         20.586113         47.401276
 Vib (Bot)       0.239569-124       -124.620569       -286.949464
 Vib (Bot)    1  0.852638D+01          0.930765          2.143165
 Vib (Bot)    2  0.539327D+01          0.731852          1.685152
 Vib (Bot)    3  0.448023D+01          0.651300          1.499674
 Vib (Bot)    4  0.410873D+01          0.613708          1.413115
 Vib (Bot)    5  0.292685D+01          0.466401          1.073928
 Vib (Bot)    6  0.215982D+01          0.334417          0.770024
 Vib (Bot)    7  0.112732D+01          0.052046          0.119840
 Vib (Bot)    8  0.984916D+00         -0.006601         -0.015199
 Vib (Bot)    9  0.890734D+00         -0.050252         -0.115710
 Vib (Bot)   10  0.860054D+00         -0.065474         -0.150760
 Vib (Bot)   11  0.814911D+00         -0.088890         -0.204677
 Vib (Bot)   12  0.771537D+00         -0.112643         -0.259371
 Vib (Bot)   13  0.665041D+00         -0.177152         -0.407907
 Vib (Bot)   14  0.580555D+00         -0.236157         -0.543771
 Vib (Bot)   15  0.529755D+00         -0.275925         -0.635341
 Vib (Bot)   16  0.467390D+00         -0.330320         -0.760591
 Vib (Bot)   17  0.430072D+00         -0.366459         -0.843803
 Vib (Bot)   18  0.419926D+00         -0.376827         -0.867677
 Vib (Bot)   19  0.411980D+00         -0.385124         -0.886781
 Vib (Bot)   20  0.350229D+00         -0.455648         -1.049169
 Vib (Bot)   21  0.318201D+00         -0.497299         -1.145073
 Vib (Bot)   22  0.255318D+00         -0.592918         -1.365244
 Vib (Bot)   23  0.237370D+00         -0.624574         -1.438136
 Vib (V=0)       0.115563D+07          6.062818         13.960154
 Vib (V=0)    1  0.904103D+01          0.956218          2.201773
 Vib (V=0)    2  0.591640D+01          0.772058          1.777728
 Vib (V=0)    3  0.500804D+01          0.699668          1.611045
 Vib (V=0)    4  0.463905D+01          0.666429          1.534509
 Vib (V=0)    5  0.346926D+01          0.540236          1.243940
 Vib (V=0)    6  0.271694D+01          0.434080          0.999505
 Vib (V=0)    7  0.173322D+01          0.238855          0.549983
 Vib (V=0)    8  0.160456D+01          0.205357          0.472851
 Vib (V=0)    9  0.152147D+01          0.182264          0.419679
 Vib (V=0)   10  0.149483D+01          0.174593          0.402015
 Vib (V=0)   11  0.145607D+01          0.163184          0.375744
 Vib (V=0)   12  0.141939D+01          0.152100          0.350224
 Vib (V=0)   13  0.133203D+01          0.124515          0.286707
 Vib (V=0)   14  0.126619D+01          0.102498          0.236011
 Vib (V=0)   15  0.122845D+01          0.089358          0.205754
 Vib (V=0)   16  0.118444D+01          0.073512          0.169267
 Vib (V=0)   17  0.115952D+01          0.064277          0.148003
 Vib (V=0)   18  0.115295D+01          0.061809          0.142320
 Vib (V=0)   19  0.114786D+01          0.059890          0.137903
 Vib (V=0)   20  0.111046D+01          0.045502          0.104773
 Vib (V=0)   21  0.109266D+01          0.038487          0.088620
 Vib (V=0)   22  0.106142D+01          0.025885          0.059603
 Vib (V=0)   23  0.105348D+01          0.022628          0.052103
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.286832D+07          6.457627         14.869236
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           866555444444444333333322222111110000999998888887776665544443332222221      
     2        87663109877542210                           051510999986210977651084321964309841776539755329616419172118428542207975432
     3        47100140481677094                           688214982060363353409908732428977464722478554978355281185915938319228500684
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXX XXXXXXXXXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X              XXX    XX                             X              X            XX X X                  XX                     
     X                X    X                              X              X            X  X X                  X                      
     X                                                    X                           X                       X                      
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                                                          X                           X                                              
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                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003321    0.000001557   -0.000001837
      2        6          -0.000002768   -0.000002496   -0.000003269
      3        6          -0.000001158   -0.000002431    0.000000219
      4        6           0.000011513    0.000005212    0.000000872
      5        6          -0.000008156    0.000002405   -0.000000196
      6        6           0.000003995    0.000003986   -0.000000756
      7        6           0.000001382    0.000012073   -0.000005762
      8        6           0.000001388    0.000001951    0.000000595
      9        6           0.000001265   -0.000005127   -0.000000404
     10        6           0.000005557   -0.000000273    0.000000035
     11        6          -0.000013397   -0.000014004    0.000006066
     12        6           0.000003451    0.000002078    0.000005816
     13        8           0.000000120   -0.000001064   -0.000001362
     14        8          -0.000001811    0.000003700   -0.000005881
     15        1           0.000000443   -0.000000785    0.000001092
     16        1           0.000001767   -0.000000461    0.000000654
     17        1           0.000001582   -0.000001735    0.000000304
     18        1          -0.000001630   -0.000001367    0.000000024
     19        1          -0.000001435   -0.000003148    0.000003747
     20        1          -0.000003296   -0.000003116    0.000001059
     21        1           0.000001435   -0.000002146   -0.000003834
     22        1          -0.000000642    0.000002588    0.000000597
     23        1           0.000000172   -0.000000913    0.000000236
     24        1          -0.000000024   -0.000000065    0.000000979
     25        1          -0.000002550   -0.000000838    0.000000184
     26        1           0.000000322   -0.000000240   -0.000000068
     27        1           0.000001257    0.000000900    0.000001073
     28        1           0.000002953    0.000000409    0.000001112
     29        6          -0.000002643    0.000006267   -0.000006788
     30        1           0.000001747   -0.000002503    0.000001501
     31        1           0.000000826    0.000000266    0.000001842
     32        1          -0.000000020   -0.000000715    0.000001787
     33        1           0.000001678    0.000000035    0.000000360
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000014004 RMS     0.000003633
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.216209D+03  0.912717D+01 -0.435130D+01
      2   0.912717D+01  0.135457D+03  0.708906D+01
      3  -0.435130D+01  0.708906D+01  0.148555D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.596539D+01 -0.125180D+01 -0.619790D+01
      2  -0.405609D+02 -0.143034D+02 -0.360784D+02
      3   0.258787D+02  0.546741D+02  0.764540D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.254884D+03 -0.695196D+02 -0.489852D+02
      2   0.137145D+03  0.651961D+02  0.233880D+01
      3   0.117739D+03  0.432355D+01  0.466464D+02
      4  -0.522224D+01 -0.100093D+03 -0.252441D+02
      5  -0.446636D+02 -0.231342D+02 -0.752401D+02
      6  -0.520034D+01 -0.220643D+02  0.186649D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.944178D+01  0.211166D+01 -0.655120D+00 -0.118885D+00 -0.138033D+00
      2   0.211166D+01  0.186592D+00  0.269895D+00 -0.138033D+00 -0.372696D+01
      3  -0.655120D+00  0.269895D+00 -0.162697D+01  0.152944D+01 -0.165191D+01
                 6             7             8             9            10 
      1   0.152944D+01 -0.116796D+02 -0.114356D+01 -0.924188D-03 -0.290977D+02
      2  -0.165191D+01 -0.114356D+01 -0.434264D-01  0.106760D+01 -0.309390D+01
      3   0.879080D+00 -0.924188D-03  0.106760D+01 -0.178173D+01 -0.403455D+00
                11            12            13            14            15 
      1  -0.309390D+01 -0.403455D+00 -0.672517D+01 -0.503072D+01  0.133823D+01
      2  -0.168653D+01 -0.706444D+00 -0.503072D+01 -0.294393D+01  0.416383D+00
      3  -0.706444D+00 -0.267597D+01  0.133823D+01  0.416383D+00 -0.641069D+00
                16            17            18            19            20 
      1  -0.102112D+01  0.169051D+01 -0.928719D+00 -0.767187D+01 -0.235514D+01
      2   0.169051D+01  0.667461D+00 -0.100781D+00 -0.235514D+01  0.167734D+01
      3  -0.928719D+00 -0.100781D+00  0.155420D+01  0.162907D+00  0.149113D+01
                21            22            23            24            25 
      1   0.162907D+00 -0.791556D+01  0.153279D+00  0.711478D+00 -0.106734D+02
      2   0.149113D+01  0.153279D+00 -0.132910D+01 -0.164026D+01 -0.250848D+01
      3   0.113154D+01  0.711478D+00 -0.164026D+01  0.197960D+01  0.535987D+00
                26            27            28            29            30 
      1  -0.250848D+01  0.535987D+00  0.260986D+02  0.410515D+01 -0.133227D+01
      2  -0.111532D+01  0.120296D+01  0.410515D+01  0.216848D+01  0.149324D+00
      3   0.120296D+01 -0.249298D+01 -0.133227D+01  0.149324D+00  0.243926D+01
                31            32            33            34            35 
      1   0.356056D+01  0.550054D+01 -0.155892D+01 -0.586320D+00 -0.120137D+01
      2   0.550054D+01  0.213388D+01 -0.781452D+00 -0.120137D+01 -0.162683D+01
      3  -0.155892D+01 -0.781452D+00  0.152936D+01  0.820823D+00  0.284824D+00
                36            37            38            39            40 
      1   0.820823D+00 -0.115326D+02 -0.257705D+01  0.111850D+01 -0.705679D+00
      2   0.284824D+00 -0.257705D+01 -0.306977D+00 -0.366714D+00  0.648005D+00
      3   0.817097D+00  0.111850D+01 -0.366714D+00  0.337123D+01 -0.163390D+01
                41            42            43            44            45 
      1   0.648005D+00 -0.163390D+01  0.130038D+02  0.988221D+00 -0.114816D+01
      2   0.384271D+01  0.206016D+01  0.988221D+00  0.637129D+00 -0.127003D+01
      3   0.206016D+01 -0.896013D+00 -0.114816D+01 -0.127003D+01  0.144525D+01
                46            47            48            49            50 
      1   0.973284D+01  0.234855D+01 -0.462147D+00  0.102220D+02 -0.558863D+00
      2   0.234855D+01 -0.148398D+01 -0.141296D+01 -0.558863D+00  0.114980D+01
      3  -0.462147D+00 -0.141296D+01 -0.226162D+01 -0.359086D+00  0.208494D+01
                51            52            53            54            55 
      1  -0.359086D+00  0.103759D+02  0.222151D+01  0.749960D+00  0.160233D+02
      2   0.208494D+01  0.222151D+01  0.124361D+01 -0.119296D+01 -0.680974D+00
      3  -0.326750D+01  0.749960D+00 -0.119296D+01  0.166989D+01  0.125417D+01
                56            57            58            59            60 
      1  -0.680974D+00  0.125417D+01 -0.398845D+01  0.436674D+01 -0.128099D+01
      2   0.133857D+01 -0.576668D+00  0.436674D+01  0.546286D+01  0.170426D+01
      3  -0.576668D+00  0.203530D+01 -0.128099D+01  0.170426D+01  0.161809D+00
                61            62            63            64            65 
      1   0.712253D+01 -0.816883D+00  0.385987D+01 -0.343663D+01  0.409705D+01
      2  -0.816883D+00  0.253649D+01  0.985674D+00  0.409705D+01 -0.774483D+00
      3   0.385987D+01  0.985674D+00 -0.436928D+01  0.619835D-01  0.121925D+01
                66            67            68            69            70 
      1   0.619835D-01  0.118671D+02 -0.167026D+01  0.220392D+01 -0.555691D+01
      2   0.121925D+01 -0.167026D+01 -0.407044D+01 -0.178612D+01  0.118176D+01
      3  -0.308180D+01  0.220392D+01 -0.178612D+01  0.352673D+00 -0.459744D+01
                71            72            73            74            75 
      1   0.118176D+01 -0.459744D+01 -0.331084D+01 -0.437840D+01  0.666550D+00
      2  -0.236762D+01  0.711979D-01 -0.437840D+01  0.100721D+01 -0.125062D+01
      3   0.711979D-01  0.564469D+01  0.666550D+00 -0.125062D+01  0.281369D+01
                76            77            78            79            80 
      1  -0.583598D+01  0.110532D+01 -0.164970D+01  0.155237D+01 -0.159678D+01
      2   0.110532D+01  0.199294D+01  0.243418D+01 -0.159678D+01  0.331570D+01
      3  -0.164970D+01  0.243418D+01 -0.101339D+01  0.379598D+01 -0.155271D+01
                81            82            83            84            85 
      1   0.379598D+01 -0.265350D+01 -0.393447D+01 -0.610020D-01 -0.610680D+01
      2  -0.155271D+01 -0.393447D+01  0.658096D+00 -0.164078D+01  0.196351D+01
      3  -0.415460D+01 -0.610020D-01 -0.164078D+01  0.342338D+01 -0.210439D+01
                86            87            88            89            90 
      1   0.196351D+01 -0.210439D+01  0.107849D+01 -0.178721D+01  0.483772D+01
      2   0.463262D+01  0.328408D+01 -0.178721D+01  0.326373D+01  0.275788D+00
      3   0.328408D+01 -0.198970D+00  0.483772D+01  0.275788D+00 -0.306390D+01
                91            92            93            94            95 
      1  -0.347016D+01  0.182603D+00 -0.647392D+00  0.380290D+01 -0.552773D+01
      2   0.182603D+00 -0.225282D+01  0.399553D+00 -0.552773D+01 -0.806084D+00
      3  -0.647392D+00  0.399553D+00 -0.124363D+01  0.105675D+01  0.122144D+01
                96            97            98            99           100 
      1   0.105675D+01  0.185947D+01  0.162782D+01 -0.213217D+01 -0.259560D+01
      2   0.122144D+01  0.162782D+01  0.277650D+01 -0.322428D+01 -0.861082D-01
      3  -0.265197D+01 -0.213217D+01 -0.322428D+01 -0.293313D+01  0.204412D+01
               101           102           103           104           105 
      1  -0.861082D-01  0.204412D+01 -0.148002D+00  0.181363D+01 -0.511607D+00
      2   0.126387D+01 -0.212698D-01  0.181363D+01 -0.190949D+01 -0.166966D+00
      3  -0.212698D-01 -0.119010D+01 -0.511607D+00 -0.166966D+00  0.215336D+01
               106           107           108           109           110 
      1   0.423330D+01 -0.179427D+01 -0.230750D+01  0.519633D+01 -0.128044D+01
      2  -0.179427D+01  0.883200D+00  0.231368D+01 -0.128044D+01  0.685300D+00
      3  -0.230750D+01  0.231368D+01  0.333525D+01 -0.378202D+01  0.272911D+00
               111           112           113           114           115 
      1  -0.378202D+01 -0.286080D+01  0.160266D+01  0.859605D+00 -0.911991D+01
      2   0.272911D+00  0.160266D+01 -0.170175D+01 -0.210601D+01  0.181616D+01
      3   0.234856D+01  0.859605D+00 -0.210601D+01 -0.193441D+01  0.405470D+01
               116           117           118           119           120 
      1   0.181616D+01  0.405470D+01 -0.478905D+00  0.164128D+01  0.128184D+01
      2  -0.319566D+01 -0.146529D+01  0.164128D+01 -0.284495D+01  0.208304D+00
      3  -0.146529D+01 -0.867066D+01  0.128184D+01  0.208304D+00  0.166148D+00
               121           122           123           124           125 
      1   0.182212D+01 -0.295253D+01  0.248224D+00  0.490549D+01 -0.120895D+01
      2  -0.295253D+01  0.320626D+01  0.102804D+01 -0.120895D+01  0.220844D+01
      3   0.248224D+00  0.102804D+01 -0.303077D+00  0.184583D+01 -0.194323D+01
               126           127           128           129           130 
      1   0.184583D+01 -0.202560D+01 -0.113024D+01 -0.159189D+01 -0.161436D+01
      2  -0.194323D+01 -0.113024D+01 -0.102017D+01 -0.104373D+01 -0.879159D+00
      3   0.444873D+01 -0.159189D+01 -0.104373D+01 -0.140855D+01 -0.153536D+01
               131           132           133           134           135 
      1  -0.879159D+00 -0.153536D+01 -0.185233D+01 -0.114163D+01 -0.200304D+01
      2  -0.145090D+01 -0.159041D+01 -0.114163D+01 -0.225288D+01 -0.270978D+01
      3  -0.159041D+01 -0.270800D+01 -0.200304D+01 -0.270978D+01 -0.526158D+01
               136           137           138           139           140 
      1   0.302533D+01 -0.190987D+00 -0.195286D+01 -0.522449D+00  0.156202D+00
      2  -0.190987D+00  0.425171D+00  0.186465D+00  0.156202D+00 -0.472715D+00
      3  -0.195286D+01  0.186465D+00  0.202261D+01  0.521060D+00 -0.502613D+00
               141           142           143           144           145 
      1   0.521060D+00 -0.277556D+01  0.716356D+00  0.273756D+01  0.202452D+01
      2  -0.502613D+00  0.716356D+00 -0.102947D+01 -0.115137D+01  0.123959D+01
      3  -0.154642D+01  0.273756D+01 -0.115137D+01 -0.501449D+01  0.175248D+01
               146           147           148           149           150 
      1   0.123959D+01  0.175248D+01  0.124905D+01  0.781918D+00  0.149324D+01
      2   0.100533D+01  0.109998D+01  0.781918D+00  0.106366D+01  0.146059D+01
      3   0.109998D+01  0.180730D+01  0.149324D+01  0.146059D+01  0.296113D+01
               151           152           153           154           155 
      1   0.177636D+01  0.113014D+01  0.218493D+01 -0.303938D+01  0.310205D+00
      2   0.113014D+01  0.211045D+01  0.268050D+01  0.310205D+00 -0.316474D+00
      3   0.218493D+01  0.268050D+01  0.618659D+01  0.252212D+01 -0.212930D+00
               156           157           158           159           160 
      1   0.252212D+01  0.244469D+00 -0.209868D+00 -0.456631D+00  0.291884D+01
      2  -0.212930D+00 -0.209868D+00  0.304983D+00  0.453597D+00 -0.697520D+00
      3  -0.294394D+01 -0.456631D+00  0.453597D+00  0.164876D+01 -0.320769D+01
               161           162           163           164           165 
      1  -0.697520D+00 -0.320769D+01 -0.228143D+01 -0.516000D-01  0.157207D+01
      2   0.946134D+00  0.111356D+01 -0.516000D-01 -0.711509D+00  0.586249D+00
      3   0.111356D+01  0.645479D+01  0.157207D+01  0.586249D+00 -0.171115D+01
               166           167           168           169           170 
      1   0.170951D+01 -0.694454D+00  0.261342D+00  0.370017D+01  0.770042D+00
      2  -0.694454D+00 -0.859828D+00  0.692556D+00  0.770042D+00  0.122654D+01
      3   0.261342D+00  0.692556D+00 -0.163633D+00 -0.219270D+01 -0.144142D+01
               171           172           173           174           175 
      1  -0.219270D+01 -0.183655D+01 -0.127053D+01 -0.618241D+00 -0.343825D+01
      2  -0.144142D+01 -0.127053D+01 -0.930885D+00  0.170570D-01 -0.267170D+01
      3   0.567697D+01 -0.618241D+00  0.170570D-01 -0.265653D+00 -0.306364D+00
               176           177           178           179           180 
      1  -0.267170D+01 -0.306364D+00 -0.438103D+01 -0.847095D+00 -0.112072D+01
      2  -0.825531D+01 -0.971464D+00 -0.847095D+00 -0.228758D+01 -0.123038D+01
      3  -0.971464D+00 -0.889586D+00 -0.112072D+01 -0.123038D+01 -0.428104D+00
               181           182           183           184           185 
      1   0.202420D+01 -0.727588D+00 -0.126142D+01 -0.151393D+01  0.283034D+00
      2  -0.727588D+00  0.497966D+00 -0.270879D+00  0.283034D+00  0.585731D+00
      3  -0.126142D+01 -0.270879D+00  0.148970D+01 -0.193348D+00 -0.684602D+00
               186           187           188           189           190 
      1  -0.193348D+00 -0.218873D+01 -0.229267D+00  0.945455D+00 -0.137109D+01
      2  -0.684602D+00 -0.229267D+00 -0.104518D+01  0.225202D-01  0.910188D+00
      3   0.116559D+00  0.945455D+00  0.225202D-01 -0.667812D+01  0.135043D+01
               191           192           193           194           195 
      1   0.910188D+00  0.135043D+01  0.428594D+00 -0.506923D+00 -0.104130D-01
      2  -0.922631D+00 -0.317776D+00 -0.506923D+00  0.308471D+00  0.591912D+00
      3  -0.317776D+00 -0.186380D+01 -0.104130D-01  0.591912D+00  0.310598D+00
               196           197           198           199           200 
      1   0.243309D+01 -0.632892D+00 -0.222270D+01 -0.389115D+01  0.308443D+01
      2  -0.632892D+00  0.171457D+01  0.148070D+01  0.308443D+01 -0.295624D+01
      3  -0.222270D+01  0.148070D+01  0.596974D+01 -0.144054D+01  0.102175D+01
               201           202           203           204           205 
      1  -0.144054D+01  0.285701D+01 -0.293735D+01  0.118248D+01 -0.272961D+01
      2   0.102175D+01 -0.293735D+01  0.422636D+01 -0.179602D+01  0.186657D+01
      3  -0.142971D+01  0.118248D+01 -0.179602D+01  0.131788D+01 -0.192835D+01
               206           207           208           209           210 
      1   0.186657D+01 -0.192835D+01  0.780953D+01  0.154320D+01  0.229719D+00
      2  -0.301920D+01  0.175113D+01  0.154320D+01  0.270671D+01  0.149606D+00
      3   0.175113D+01 -0.166224D+01  0.229719D+00  0.149606D+00  0.495774D+00
               211           212           213           214           215 
      1   0.156522D+01  0.159274D+01  0.127640D+00  0.385925D+00  0.389870D-01
      2   0.159274D+01  0.196461D+01 -0.155344D+00  0.389870D-01 -0.351191D+00
      3   0.127640D+00 -0.155344D+00  0.544549D+00  0.136221D+00  0.631130D+00
               216           217           218           219           220 
      1   0.136221D+00 -0.289235D+01 -0.965139D-01  0.177261D+01  0.375466D+00
      2   0.631130D+00 -0.965139D-01 -0.573645D+00  0.371807D+00 -0.915424D+00
      3   0.378276D+00  0.177261D+01  0.371807D+00 -0.193033D+01  0.316045D+00
               221           222           223           224           225 
      1  -0.915424D+00  0.316045D+00  0.461456D+01  0.940022D+00 -0.316601D+01
      2  -0.741758D+00  0.421605D+00  0.940022D+00  0.116531D+01 -0.632844D+00
      3   0.421605D+00 -0.202542D+00 -0.316601D+01 -0.632844D+00  0.511094D+01
               226           227           228           229           230 
      1  -0.874792D-01 -0.750075D+00 -0.381473D+00 -0.249853D+01 -0.247098D+01
      2  -0.750075D+00 -0.422740D+00 -0.619679D-01 -0.247098D+01 -0.751088D+01
      3  -0.381473D+00 -0.619679D-01 -0.391903D+00 -0.729627D+00 -0.239197D+01
               231           232           233           234           235 
      1  -0.729627D+00 -0.124881D+01 -0.631492D+00 -0.124166D+01 -0.615829D+01
      2  -0.239197D+01 -0.631492D+00 -0.255570D+01 -0.163101D+01  0.188227D+01
      3  -0.179546D+01 -0.124166D+01 -0.163101D+01 -0.131469D+01 -0.248334D+01
               236           237           238           239           240 
      1   0.188227D+01 -0.248334D+01  0.501175D+01 -0.196726D+01  0.180239D+01
      2  -0.126782D+01  0.884476D+00 -0.196726D+01  0.161398D+01 -0.138718D+01
      3   0.884476D+00 -0.202853D+01  0.180239D+01 -0.138718D+01  0.155855D+01
               241           242           243           244           245 
      1  -0.431731D+01  0.104453D+01 -0.312674D+01 -0.123939D+00  0.300357D+00
      2   0.104453D+01 -0.156482D+01  0.914152D+00  0.300357D+00  0.713328D+00
      3  -0.312674D+01  0.914152D+00 -0.240797D+01  0.168054D+01  0.328239D+00
               246           247           248           249           250 
      1   0.168054D+01  0.498732D+00  0.125761D+01  0.481748D+00  0.291806D+01
      2   0.328239D+00  0.125761D+01  0.169640D+01  0.114580D+01  0.670647D+00
      3   0.101013D+01  0.481748D+00  0.114580D+01  0.167711D+01  0.165832D+01
               251           252           253           254           255 
      1   0.670647D+00  0.165832D+01 -0.747563D+01 -0.516989D+01  0.756415D+00
      2   0.170890D+01  0.162434D+01 -0.516989D+01  0.175201D+01  0.416584D+00
      3   0.162434D+01  0.505648D+01  0.756415D+00  0.416584D+00  0.903405D+00
               256           257           258           259           260 
      1  -0.184677D+01  0.333429D+01 -0.605705D+00 -0.301241D+01 -0.113330D+01
      2   0.333429D+01 -0.443938D+00 -0.198939D+01 -0.113330D+01 -0.335915D+01
      3  -0.605705D+00 -0.198939D+01  0.274725D+01  0.220841D+01  0.269695D+01
               261           262           263           264           265 
      1   0.220841D+01  0.370736D+01 -0.297077D+01  0.931367D+00 -0.384359D+01
      2   0.269695D+01 -0.297077D+01  0.303821D+01 -0.632563D+00  0.422378D+01
      3   0.254512D+01  0.931367D+00 -0.632563D+00  0.878227D+00 -0.862543D+00
               266           267           268           269           270 
      1   0.422378D+01 -0.862543D+00 -0.902118D+00  0.939822D+00  0.414922D+00
      2  -0.603062D+01  0.112685D+01  0.939822D+00 -0.104740D+01 -0.444059D+00
      3   0.112685D+01 -0.132767D+01  0.414922D+00 -0.444059D+00  0.426847D+00
               271           272           273           274           275 
      1  -0.144978D+01  0.192986D+01  0.112935D+00  0.192008D+01 -0.146097D+01
      2   0.192986D+01 -0.344571D+01  0.263427D+00 -0.146097D+01  0.641389D+01
      3   0.112935D+00  0.263427D+00 -0.788141D+00 -0.600470D-01 -0.226772D-01
               276           277           278           279           280 
      1  -0.600470D-01  0.802782D+00  0.259920D-01 -0.490648D+00  0.207158D+00
      2  -0.226772D-01  0.259920D-01  0.144914D+01  0.464222D+00  0.170069D+00
      3   0.694080D+00 -0.490648D+00  0.464222D+00  0.341447D-01 -0.723096D+00
               281           282           283           284           285 
      1   0.170069D+00 -0.723096D+00 -0.687814D+00 -0.600201D+00  0.148814D+00
      2  -0.558922D+00  0.121559D+00 -0.600201D+00 -0.693855D+00 -0.228443D+00
      3   0.121559D+00 -0.798035D+00  0.148814D+00 -0.228443D+00 -0.126675D+01
               286           287           288           289           290 
      1  -0.162847D+01 -0.313599D+00  0.546191D-01  0.115896D+02  0.488821D+01
      2  -0.313599D+00 -0.138766D+01  0.903882D-01  0.488821D+01  0.335231D+01
      3   0.546191D-01  0.903882D-01 -0.604749D+01 -0.147450D+01 -0.942273D+00
               291           292           293           294           295 
      1  -0.147450D+01  0.323646D+01  0.240917D+01 -0.423792D+00 -0.761502D-02
      2  -0.942273D+00  0.240917D+01  0.234840D+01 -0.273555D+00  0.152197D-01
      3   0.130358D+01 -0.423792D+00 -0.273555D+00  0.174137D+00  0.973864D+00
               296           297 
      1   0.152197D-01  0.973864D+00
      2   0.395799D+00  0.318843D+00
      3   0.318843D+00 -0.474038D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.189644D+01  0.263532D+00 -0.259532D+01  0.578038D+01  0.910020D+00
      2  -0.139469D+02  0.214627D+01  0.861785D+01  0.433989D+01 -0.474772D+00
      3  -0.309425D+01 -0.337341D+01 -0.379774D+01  0.122120D+02  0.637671D-01
                 6             7             8             9            10 
      1  -0.268626D+01 -0.481739D+01  0.196241D+01  0.844082D+00 -0.502842D+01
      2  -0.582563D+00  0.417267D+01 -0.155649D+01 -0.490773D+01  0.182525D+02
      3  -0.379650D+01 -0.216295D+01  0.958906D+00  0.483128D+01  0.233754D+01
                11            12            13            14            15 
      1   0.498638D+00  0.190985D+01  0.757528D+00 -0.469680D+01 -0.764438D+01
      2   0.143652D+01 -0.300825D+01 -0.988173D+00  0.158640D+01 -0.220696D+01
      3   0.161763D+01  0.980197D+00  0.118546D+02 -0.691902D+00 -0.851287D+00
                16            17            18            19            20 
      1   0.858142D+01  0.497905D+00  0.377439D+01 -0.848180D+00 -0.542522D+00
      2  -0.228402D+02 -0.170639D+01  0.344837D+01  0.925710D+01  0.270347D+01
      3   0.637069D+01 -0.144210D+01 -0.362811D+01 -0.489935D+01 -0.136463D+01
                21            22            23            24            25 
      1   0.402666D+00 -0.735766D+01 -0.402640D+01 -0.207870D+01  0.118615D+01
      2   0.498493D+01  0.814972D+01  0.393215D+01  0.173879D+01  0.332325D+01
      3  -0.538962D+00  0.112105D+02  0.268176D+01  0.251814D+01 -0.561401D+01
                26            27            28            29            30 
      1   0.230852D+01 -0.182158D+01  0.227728D+01  0.253639D+01  0.422144D+01
      2   0.164103D+01  0.211510D+01 -0.147559D+02 -0.369520D+01 -0.119644D+01
      3  -0.418942D+00 -0.197930D+01 -0.294189D+01 -0.141383D-01  0.159550D+01
                31            32            33            34            35 
      1   0.641877D+01 -0.163617D+01 -0.816964D+01  0.637091D+01  0.502193D+00
      2  -0.702719D+01 -0.560872D+01 -0.175163D+01 -0.235031D+02 -0.228679D+01
      3   0.874137D+01  0.425005D+01 -0.513378D-01  0.365841D+01  0.248922D+01
                36            37            38            39            40 
      1   0.374313D+01 -0.359084D+01 -0.457584D+00 -0.110292D+01  0.428745D+01
      2   0.249198D+01  0.631212D+01  0.486785D+01  0.486958D+01  0.489608D+01
      3  -0.332232D+01 -0.196627D+01 -0.265126D+01 -0.329537D+01  0.100680D+02
                41            42            43            44            45 
      1   0.407148D+01 -0.660425D+00 -0.548643D+00  0.219560D+01  0.255243D+00
      2   0.915411D+00 -0.520019D+00 -0.127335D+02 -0.319218D+01 -0.438431D+00
      3  -0.893041D+00 -0.424255D+01  0.702924D+00 -0.102249D+01  0.353527D+01
                46            47            48            49            50 
      1   0.466740D+01 -0.163141D+01 -0.107378D+01 -0.649941D+01 -0.125121D+01
      2  -0.799550D+01 -0.198069D+01  0.391493D+01 -0.493882D+01  0.494013D+00
      3  -0.432321D+01 -0.139797D+01 -0.613712D+00  0.930817D+01  0.287968D+01
                51            52            53            54            55 
      1  -0.193960D+01  0.431489D+01  0.323202D+01 -0.405299D+00  0.428832D+01
      2   0.316366D+01 -0.968718D+01 -0.116166D+01  0.655004D-01 -0.900735D+01
      3   0.366519D+01 -0.628172D+01  0.324106D+00 -0.170146D+01 -0.119377D+02
                56            57            58            59            60 
      1  -0.132621D+01  0.123210D+01 -0.332701D+01  0.617403D+01 -0.133020D+01
      2   0.149368D+01 -0.283244D+01  0.434188D+01 -0.964341D+01 -0.555751D+00
      3   0.219704D+01 -0.252966D+01  0.249603D+02  0.136755D+02  0.724861D+01
                61            62            63            64            65 
      1   0.466498D+01  0.346685D+01 -0.548588D+01 -0.459312D+01  0.612541D+00
      2  -0.244006D+02 -0.304780D+01  0.159187D+02  0.435148D+01 -0.352088D+01
      3  -0.838560D+01  0.845894D+01 -0.190146D+01  0.231163D+02 -0.763805D+01
                66            67            68            69            70 
      1  -0.317676D+00  0.475466D+00  0.118195D+01 -0.160581D+01 -0.400783D+01
      2   0.164406D+02 -0.993651D+01  0.883248D+01  0.281890D+00  0.175318D+02
      3   0.547148D+01 -0.709084D+01 -0.153355D+02 -0.777496D+01  0.106053D+02
                71            72            73            74            75 
      1   0.499407D+01 -0.452959D+00 -0.316080D+00  0.273069D+01 -0.543866D+01
      2  -0.554796D+00 -0.280955D+02 -0.170372D+01  0.662966D+01 -0.951288D+01
      3  -0.930700D+01  0.228554D+01 -0.268075D+02 -0.769166D+01 -0.480236D+01
                76            77            78            79            80 
      1   0.345133D+01 -0.681652D+01  0.467383D+00 -0.739157D+01  0.588055D+01
      2   0.852259D+01 -0.964339D+01  0.456851D+01 -0.175293D+02  0.662278D+01
      3  -0.276360D+01  0.874649D+01  0.696270D+01 -0.605446D+01  0.980601D+01
                81            82            83            84            85 
      1   0.780787D+01  0.234215D+01 -0.121042D+01  0.332899D+01 -0.227756D+01
      2   0.167534D+02 -0.216134D+01  0.693240D+01 -0.177311D+02  0.892417D+01
      3  -0.133048D+01 -0.200671D+02  0.493077D+01 -0.915520D+01  0.199797D+02
                86            87            88            89            90 
      1  -0.747629D-01 -0.328724D+01  0.504795D+01  0.168520D+00 -0.176959D+01
      2  -0.183670D+02 -0.119682D+01 -0.315673D+02 -0.331678D+01  0.193911D+02
      3   0.261222D+02  0.205955D+02 -0.100271D+02  0.194979D+02 -0.212637D+01
                91            92            93            94            95 
      1  -0.171848D+01 -0.473972D+00  0.201295D+01  0.105020D+01 -0.638937D+00
      2   0.272787D+00  0.116572D+01  0.701429D+00  0.200729D+01  0.582963D+01
      3  -0.100959D+02  0.159831D+01 -0.909738D+00  0.306782D+02 -0.105050D+01
                96            97            98            99           100 
      1  -0.921121D+00  0.519175D+01  0.735418D+01  0.244639D+01  0.223363D+01
      2  -0.960969D+01 -0.146706D+02 -0.114283D+02 -0.102133D+02  0.210145D+01
      3  -0.420900D+01 -0.205831D+01 -0.655265D+01  0.824491D+01  0.216333D+02
               101           102           103           104           105 
      1   0.304775D+01 -0.587549D+01 -0.591465D+00  0.111414D+01 -0.375503D+01
      2  -0.551710D+00 -0.292896D+00 -0.325010D+00 -0.156888D+01  0.158951D+02
      3  -0.955489D+01  0.162973D+01 -0.114776D+01 -0.551093D+01 -0.873780D+00
               106           107           108           109           110 
      1  -0.415623D+01 -0.492296D+01  0.143247D+01 -0.173424D+01 -0.338230D+01
      2  -0.750894D+01  0.968982D+01  0.170869D+02 -0.102642D+02  0.765317D+00
      3   0.863157D+01 -0.674040D+01 -0.793488D+01 -0.192231D+01 -0.496566D+01
               111           112           113           114           115 
      1   0.281822D+01 -0.937932D+00  0.115915D+01 -0.290946D+01  0.480098D+00
      2   0.110083D+02 -0.687493D+00 -0.792754D+01 -0.102840D+02  0.618317D+01
      3  -0.377382D+00 -0.523059D+01  0.100872D+02  0.856730D+01 -0.951635D+01
               116           117           118           119           120 
      1   0.794093D+01 -0.604196D+01  0.280231D+01 -0.119422D+01  0.798941D+00
      2  -0.480631D+01 -0.364507D+02  0.556965D+01 -0.710602D+00  0.250186D+01
      3   0.141278D+02  0.664151D+01 -0.804750D+01  0.766435D+01 -0.238723D+01
               121           122           123           124           125 
      1  -0.174343D+01  0.261573D+01 -0.204742D+01 -0.269860D+01  0.679956D+01
      2   0.166189D+01  0.657586D+01 -0.283186D+01  0.252185D+00 -0.515803D+01
      3   0.997199D+01 -0.837614D+01 -0.424510D+01  0.359686D+01 -0.882679D+01
               126           127           128           129           130 
      1   0.486753D+01 -0.396387D+00  0.133899D+01 -0.424346D+00 -0.840066D+00
      2   0.180451D+02 -0.390099D+01 -0.600664D+00 -0.470301D+00 -0.192739D+01
      3   0.629090D+01  0.228892D+01 -0.208350D+00  0.614619D+00  0.296390D+01
               131           132           133           134           135 
      1   0.389772D+00 -0.315245D+01 -0.914137D+00  0.226075D+01 -0.247029D+01
      2   0.155593D+00  0.484517D+00 -0.309072D+01  0.494972D+00  0.207157D+01
      3  -0.906214D+00  0.308634D+00  0.187374D+01 -0.164104D+01 -0.362524D+00
               136           137           138           139           140 
      1  -0.121712D+01 -0.171130D+01  0.182838D+01 -0.446194D-01  0.245274D+00
      2   0.539720D+01 -0.224830D+00 -0.658869D+00  0.644475D+00 -0.984451D-02
      3  -0.248139D+01 -0.925440D+00  0.121720D+01  0.732866D+00  0.668336D+00
               141           142           143           144           145 
      1  -0.152736D+01  0.688696D+00  0.294304D+01 -0.108081D+01  0.138129D+01
      2  -0.960916D+00 -0.478355D+01  0.189265D+00 -0.122567D+01 -0.446131D+01
      3  -0.201851D+00  0.165693D+01  0.158248D+01 -0.917889D+00  0.795955D+00
               146           147           148           149           150 
      1   0.245815D+01  0.548245D+00  0.155817D+00  0.132698D+01 -0.154303D+01
      2  -0.147831D+01 -0.102340D+01 -0.274467D+01 -0.642458D+00 -0.409961D+00
      3  -0.706039D+00  0.700523D-01  0.185441D+01 -0.630981D+00 -0.510813D-01
               151           152           153           154           155 
      1   0.647005D+00  0.428792D+01  0.253195D+00  0.196526D+00 -0.207061D+01
      2  -0.388138D+01 -0.452272D+00  0.663819D+00  0.586897D+01 -0.501428D+00
      3   0.808090D+00 -0.208215D+01 -0.836615D+00 -0.101755D+01 -0.118346D+01
               156           157           158           159           160 
      1   0.653165D+00  0.210548D+00  0.603369D+00 -0.103097D+01 -0.127499D+01
      2  -0.845451D+00  0.397569D+00 -0.224581D-01 -0.113443D+01 -0.512683D+01
      3   0.531634D+00  0.123509D+01  0.418205D+00  0.784055D-01  0.681820D-01
               161           162           163           164           165 
      1   0.387582D+01  0.120606D+01  0.177862D+01 -0.341334D+00 -0.186667D+01
      2   0.424156D+00 -0.107054D+01 -0.427852D+01 -0.190402D+01  0.634442D+01
      3   0.189120D+01 -0.347306D+00  0.272349D+01 -0.316310D+01  0.261781D-01
               166           167           168           169           170 
      1   0.663507D+00  0.213564D+00 -0.980880D+00 -0.197475D+01  0.153559D+01
      2  -0.199929D+01 -0.137369D+01  0.129716D+00  0.123150D+01  0.387469D+01
      3  -0.145555D+01 -0.190979D+01  0.146687D+01 -0.162641D+01  0.369836D+01
               171           172           173           174           175 
      1   0.684250D+01 -0.116458D+01 -0.273406D+00 -0.955674D+00 -0.135433D+01
      2  -0.176898D+02  0.387574D+01  0.714238D+00  0.244874D+01  0.254890D+01
      3  -0.109594D+01 -0.152990D+01 -0.255935D+01  0.395447D+00 -0.157254D+01
               176           177           178           179           180 
      1  -0.450177D+01 -0.401106D+01 -0.185926D+01 -0.166139D+01 -0.129896D+01
      2   0.599540D+01  0.350050D+01  0.400363D+01  0.441115D+01  0.117259D+01
      3  -0.226582D+02 -0.218607D+01  0.180592D+01 -0.668922D+01 -0.222195D+01
               181           182           183           184           185 
      1   0.153403D+01 -0.121240D+01  0.787971D-01 -0.374734D+00 -0.618971D+00
      2   0.985841D+01  0.392812D+00 -0.686899D+01 -0.414449D+00  0.318877D+01
      3  -0.314308D+01  0.132289D+01 -0.717517D+00  0.334015D+01  0.227649D+01
               186           187           188           189           190 
      1  -0.601439D+00 -0.329678D+00  0.308218D+01  0.325031D+00 -0.254306D+01
      2  -0.278551D+00 -0.101497D+02 -0.930052D-01  0.279552D+02 -0.481619D+01
      3  -0.258020D+01 -0.714619D+00 -0.342846D+01  0.203101D+00  0.225850D+01
               191           192           193           194           195 
      1  -0.269615D+00  0.366550D+01  0.128874D+00 -0.102277D+01 -0.169778D+01
      2   0.119267D+01  0.789546D+01  0.348639D-02 -0.201980D+01 -0.861442D+00
      3  -0.347546D+01  0.516384D+00 -0.340731D-01  0.240634D+00  0.195295D+01
               196           197           198           199           200 
      1   0.390252D+01  0.550206D+00 -0.115977D+02  0.262298D+01 -0.143073D+01
      2   0.477543D+01 -0.554414D+01 -0.239782D+02  0.575488D+01 -0.440867D+01
      3   0.169882D+01  0.713040D+01  0.305700D+01  0.586319D+01 -0.918041D+01
               201           202           203           204           205 
      1   0.413693D+01 -0.291037D+01  0.280471D+01 -0.418994D+01  0.371026D+01
      2   0.750135D+01 -0.461877D+01  0.754624D+01 -0.652526D+01  0.669364D+01
      3   0.182024D+01 -0.421742D+01  0.134151D+02 -0.496567D+01  0.244844D+01
               206           207           208           209           210 
      1  -0.148274D+01  0.370817D+01 -0.180733D+01 -0.204424D+00 -0.214387D+01
      2  -0.720090D+01  0.715192D+01 -0.258419D+01 -0.790400D+00 -0.892502D+00
      3  -0.103027D+02  0.421696D+01  0.252118D+02  0.119960D+02  0.133686D+01
               211           212           213           214           215 
      1  -0.598331D+00  0.412285D+00 -0.182294D+01 -0.166033D+01  0.233768D+00
      2  -0.910117D+00  0.354095D+00 -0.983605D+00 -0.354571D+01 -0.194281D+01
      3   0.122405D+02  0.937036D+01 -0.267395D+00  0.159542D+01 -0.121695D+01
               216           217           218           219           220 
      1  -0.105981D+01  0.131986D+01 -0.783968D-01 -0.178611D+01  0.594899D+00
      2  -0.149035D+01 -0.109720D+02 -0.218636D+01  0.129848D+02 -0.173797D+01
      3   0.280651D+01  0.140794D+01 -0.424079D+01  0.748343D+00 -0.367917D+01
               221           222           223           224           225 
      1   0.435662D+00 -0.116266D+01 -0.219733D+01  0.156050D+01  0.393690D+01
      2  -0.249568D+01  0.144348D+01  0.162640D+02  0.361713D+01 -0.311113D+02
      3  -0.334940D+01  0.174945D+01  0.164319D+01  0.675424D+01 -0.894271D+00
               226           227           228           229           230 
      1   0.370324D+00  0.245530D+00 -0.322355D+00  0.736550D+00  0.344230D+01
      2   0.239507D+01 -0.106914D+00  0.239278D+01  0.171729D+01  0.123110D+02
      3  -0.439930D+01 -0.272579D+01 -0.189448D+00 -0.782025D+01 -0.393306D+02
               231           232           233           234           235 
      1  -0.246063D+01 -0.521665D+00  0.149855D+01 -0.612866D+00 -0.277323D+01
      2   0.101702D+02  0.448033D+01  0.857295D+01  0.629610D+01  0.954337D+01
      3  -0.124822D+02 -0.174777D+01 -0.138357D+02 -0.764410D+01  0.136312D+02
               236           237           238           239           240 
      1   0.211604D+01 -0.128150D+01  0.209049D+01 -0.264386D+01  0.657959D+00
      2  -0.379921D+01  0.121398D+02 -0.661402D+01  0.675667D+01 -0.863170D+01
      3  -0.105174D+02  0.654323D+01 -0.118753D+02  0.110803D+02 -0.872498D+01
               241           242           243           244           245 
      1  -0.216977D+01  0.315853D+01 -0.140580D+01 -0.187976D+01  0.219078D-01
      2   0.132819D+02 -0.451037D+01  0.121102D+02  0.590066D+01  0.137716D+01
      3   0.786762D+01 -0.105294D+02  0.690839D+01 -0.104977D+01 -0.267463D+01
               246           247           248           249           250 
      1  -0.109719D+01 -0.433373D+00 -0.193997D+00 -0.226237D+01 -0.115826D+01
      2   0.314454D+01  0.127650D+01  0.296672D+01  0.544774D+01  0.415942D+00
      3   0.240310D+00 -0.188256D+01 -0.402898D+01 -0.289801D+01  0.442484D+00
               251           252           253           254           255 
      1   0.139004D+01 -0.494031D+01  0.322165D+01 -0.339435D+01 -0.405461D+01
      2   0.473676D+01  0.156908D+02 -0.543224D+01 -0.431662D+01  0.687152D+01
      3  -0.440427D+01 -0.384498D+01  0.187350D+01 -0.187065D+02 -0.773912D-01
               256           257           258           259           260 
      1  -0.770708D+00  0.706716D+01 -0.656774D+01 -0.415604D+01 -0.125695D+01
      2  -0.623165D+01 -0.543718D+01  0.959054D+01  0.731284D+01  0.101955D+02
      3  -0.154937D+02  0.685247D+01  0.646394D+01  0.122573D+01  0.968627D+01
               261           262           263           264           265 
      1  -0.105978D+02 -0.224064D+01  0.262241D+01  0.985898D+00  0.362625D+01
      2   0.109736D+02  0.391685D+00  0.200945D-01  0.334988D+01  0.125091D+00
      3  -0.618326D+01  0.767917D+01 -0.101465D+02  0.257251D+01 -0.116924D+02
               266           267           268           269           270 
      1  -0.508264D+01 -0.138107D+01  0.465724D+00 -0.437024D+00 -0.893587D+00
      2   0.685196D+00 -0.515543D+01  0.126535D+01 -0.183225D+01  0.700461D+00
      3   0.216414D+02 -0.367864D+01 -0.286251D+01  0.397517D+01  0.143439D+01
               271           272           273           274           275 
      1  -0.244789D+01  0.263360D+01  0.320377D+01  0.189090D+01 -0.587069D+01
      2  -0.149771D+01  0.239419D+01 -0.145347D+01  0.184789D+01 -0.206750D+01
      3  -0.114189D+02  0.133764D+02  0.613817D-01  0.110580D+02 -0.225153D+02
               276           277           278           279           280 
      1  -0.339557D+01  0.201288D+01 -0.974196D+00 -0.973974D+00  0.241360D+01
      2   0.112713D+01 -0.217520D+01  0.900419D+00 -0.358069D+00 -0.389634D+01
      3  -0.375277D+00  0.219255D+01 -0.426607D+01 -0.258229D+01 -0.501778D+00
               281           282           283           284           285 
      1   0.136763D+01  0.183368D+01  0.128002D+01  0.309823D+01  0.258601D+01
      2  -0.264494D+00 -0.303562D+01 -0.212741D+01 -0.183793D+01 -0.433396D+01
      3   0.155305D+01 -0.139715D+01  0.198202D+01  0.128845D+01  0.775785D+00
               286           287           288           289           290 
      1   0.110284D+01  0.456808D+01  0.137766D+02 -0.104705D+01 -0.128861D+01
      2  -0.414228D+01 -0.621827D+00 -0.194883D+02  0.439643D+01  0.350057D+00
      3  -0.171623D+01  0.346786D+01 -0.471692D+00  0.626015D+01 -0.492323D+01
               291           292           293           294           295 
      1  -0.332338D+01 -0.136313D+01 -0.173140D+01 -0.116448D+01 -0.196789D+01
      2   0.598617D+01  0.182424D+01  0.101468D+01  0.127275D+01  0.203538D+01
      3   0.875335D+00 -0.322826D+00 -0.400760D+01 -0.721870D-01 -0.124906D+00
               296           297 
      1   0.218596D+00  0.123184D+01
      2   0.479149D+00 -0.140998D+01
      3  -0.114246D+01  0.871433D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.525994D+01 -0.441483D+01 -0.200764D+02  0.951155D+01 -0.121183D+02
      2  -0.467037D+00 -0.913082D+00  0.335002D+01 -0.121108D+00  0.190529D+02
      3   0.572697D+01  0.532791D+01  0.167264D+02 -0.939044D+01 -0.693464D+01
      4  -0.659305D+01 -0.342709D+01 -0.818357D+01  0.210315D+01 -0.832637D+00
      5  -0.185974D+02 -0.683979D+01  0.911087D+00 -0.741531D+01 -0.164699D+01
      6  -0.960144D+01 -0.724881D+00  0.336004D+00 -0.269697D+01  0.102062D+01
                 6             7             8             9            10 
      1  -0.403785D+01  0.266489D+02  0.117858D+02  0.146076D+02  0.524106D+02
      2   0.841297D+01 -0.617135D+01 -0.229558D+01 -0.611607D+01 -0.193755D+02
      3  -0.437512D+01 -0.204775D+02 -0.949027D+01 -0.849150D+01 -0.330351D+02
      4  -0.920669D+00  0.529689D+01  0.184799D+01 -0.359347D+01  0.458323D+01
      5  -0.715671D+01  0.139620D+02 -0.337645D+01 -0.445857D+01  0.769435D+01
      6   0.180506D+01 -0.511311D+01 -0.420861D+01 -0.110635D+02  0.619874D+00
                11            12            13            14            15 
      1   0.481302D+01  0.415216D+01  0.221227D+01 -0.219966D+01 -0.752065D+01
      2  -0.858539D+00  0.289787D+01  0.327229D+01  0.794378D+01  0.249943D+01
      3  -0.395448D+01 -0.705003D+01 -0.548456D+01 -0.574413D+01  0.502121D+01
      4   0.119999D+01  0.344782D+01  0.147225D+02  0.421090D+01 -0.271300D+00
      5   0.443948D+01  0.656190D+01 -0.958247D+01  0.394906D+00  0.210414D+01
      6   0.846427D+00  0.193814D+01 -0.798092D+01 -0.561458D+01  0.867871D+01
                16            17            18            19            20 
      1   0.100251D+02 -0.769247D+01 -0.185202D+02  0.424939D+01  0.113807D+02
      2  -0.604186D+01 -0.388452D+01  0.197671D+01  0.452004D+01 -0.790610D+01
      3  -0.398329D+01  0.115770D+02  0.165435D+02 -0.876943D+01 -0.347460D+01
      4  -0.122903D+02 -0.704917D+00 -0.195431D+01  0.210347D+01  0.566654D+01
      5  -0.146845D+02 -0.743922D+00 -0.155579D+01  0.185403D+02  0.316128D+01
      6  -0.387589D+01  0.204798D+01  0.586908D+01  0.708626D+01 -0.168361D+01
                21            22            23            24            25 
      1   0.207863D+02 -0.818927D+01 -0.212882D+01  0.161733D+02 -0.195002D+02
      2  -0.902298D+01 -0.257625D+01  0.532618D+01 -0.189114D+00  0.330794D+01
      3  -0.117633D+02  0.107655D+02 -0.319735D+01 -0.159842D+02  0.161922D+02
      4   0.452927D+01  0.749633D+01 -0.625929D+01 -0.581246D+00 -0.224755D+01
      5  -0.480440D+01  0.101340D+02  0.134316D+01  0.620557D+00  0.101446D+02
      6  -0.556658D+01  0.348581D+01 -0.574849D+00  0.411567D+01  0.125614D+02
                26            27            28            29            30 
      1   0.363728D+01  0.667973D+01  0.114797D+02  0.214392D+01 -0.318999D+01
      2  -0.479045D+00  0.907815D+00 -0.102302D+01  0.196285D+00 -0.992441D+00
      3  -0.315824D+01 -0.758754D+01 -0.104567D+02 -0.234021D+01  0.418243D+01
      4   0.273016D+00  0.712427D+01  0.586128D+01  0.345654D+01  0.892232D+00
      5   0.646782D+01  0.602134D+01 -0.151775D+01  0.896926D+00  0.748985D+01
      6   0.552786D+01 -0.731561D+01 -0.699718D+01  0.186847D+01  0.251143D+01
                31            32            33            34            35 
      1  -0.806091D+01 -0.190991D+01 -0.847677D+01  0.565415D+01 -0.590180D+01
      2   0.703635D+01  0.567262D+01  0.353420D+00 -0.680940D+01 -0.620387D+01
      3   0.102456D+01 -0.376271D+01  0.812335D+01  0.115525D+01  0.121057D+02
      4   0.175193D+02  0.506316D+00 -0.316958D+01 -0.116960D+02 -0.677887D+01
      5  -0.142054D+02 -0.292837D+01  0.278208D+01 -0.154310D+02 -0.755354D+00
      6  -0.226790D+01 -0.373391D+01  0.759790D+01 -0.727339D+01  0.132427D+01
                36            37            38            39            40 
      1  -0.227654D+02  0.911075D+01 -0.257729D+01 -0.250983D+02  0.545772D+01
      2   0.524105D+01 -0.833843D+01 -0.154029D+01  0.272382D+01  0.413497D+01
      3   0.175243D+02 -0.772323D+00  0.411758D+01  0.223745D+02 -0.959269D+01
      4  -0.113567D-01 -0.852069D+01 -0.492230D+01 -0.886748D+01  0.870513D+01
      5   0.134742D+01 -0.833436D+01 -0.614646D+01 -0.433873D+01 -0.495570D+01
      6   0.663531D+01 -0.596711D+01  0.133787D+00 -0.385416D+01 -0.239498D+01
                41            42            43            44            45 
      1  -0.105976D+02 -0.148364D+00  0.186334D+02  0.929044D+01  0.968745D+01
      2   0.139417D+02  0.797208D+01 -0.591346D+00  0.174601D+01 -0.600044D+01
      3  -0.334410D+01 -0.782372D+01 -0.180420D+02 -0.110365D+02 -0.368701D+01
      4   0.203324D+00 -0.992189D+00  0.591675D+00  0.436983D+01 -0.435564D+01
      5  -0.334874D+00 -0.112332D+02  0.795386D+01 -0.490068D+01 -0.320197D+01
      6   0.434955D+01  0.567924D+01 -0.749805D+01 -0.347667D+01 -0.127140D+02
                46            47            48            49            50 
      1  -0.647620D+01  0.789824D+01  0.205955D+02 -0.234452D+02 -0.474666D+01
      2   0.873643D+01 -0.326910D+01 -0.773908D+01  0.736423D+01  0.361886D+01
      3  -0.226023D+01 -0.462915D+01 -0.128564D+02  0.160809D+02  0.112780D+01
      4  -0.523736D+00  0.738394D+01  0.418601D+01  0.102036D+02 -0.408856D+01
      5   0.110421D+02  0.906454D+00 -0.953190D+01  0.466117D+01 -0.293823D+01
      6   0.418110D+01 -0.362531D+01 -0.752762D+01  0.901668D+00 -0.160117D+01
                51            52            53            54            55 
      1   0.206555D+02 -0.296273D+02  0.325057D+01 -0.356143D+00 -0.496342D+02
      2   0.842714D+00  0.467239D+01  0.493070D+00  0.323231D+01  0.214885D+02
      3  -0.214982D+02  0.249549D+02 -0.374364D+01 -0.287617D+01  0.281457D+02
      4  -0.773619D+00 -0.471653D+01 -0.101615D+01  0.563550D+01  0.922293D+01
      5   0.205308D+01  0.149958D+01  0.534533D+01  0.748085D+01 -0.867718D+01
      6   0.987275D+01  0.102380D+02  0.672771D+01 -0.104070D+02 -0.221843D+01
                56            57            58            59            60 
      1   0.102340D+02 -0.685729D+01  0.417030D+02 -0.231373D+01  0.120692D+02
      2  -0.608984D+01  0.536299D+00 -0.298842D+02 -0.155167D+02 -0.104059D+02
      3  -0.414417D+01  0.632099D+01 -0.118188D+02  0.178305D+02 -0.166328D+01
      4  -0.860447D+01  0.450109D+01 -0.261737D+02 -0.356600D+02 -0.111010D+02
      5   0.416588D+01 -0.145528D+02  0.109242D+02 -0.113353D+02 -0.103841D+01
      6   0.105865D+01 -0.346471D+01  0.244189D+00 -0.592415D+01 -0.852541D+00
                61            62            63            64            65 
      1  -0.326332D+02  0.968095D+01 -0.139545D+02 -0.111700D+02 -0.362106D+02
      2   0.808351D+01 -0.113804D+02  0.123350D+02  0.104429D+02  0.181179D+02
      3   0.245497D+02  0.169944D+01  0.161948D+01  0.727057D+00  0.180926D+02
      4   0.717656D+01 -0.158616D+02 -0.740981D+01 -0.395439D+02  0.555079D+01
      5  -0.309049D+02 -0.686129D+01  0.332531D+02 -0.401838D+01 -0.109564D+02
      6  -0.641662D+01 -0.325867D+01  0.848585D+01 -0.274543D+01 -0.224304D+01
                66            67            68            69            70 
      1  -0.851145D+01 -0.765467D+02  0.113834D+02 -0.135798D+02  0.113046D+02
      2   0.178231D-01  0.404434D+02 -0.703400D+01  0.583025D+01 -0.577954D+01
      3   0.849362D+01  0.361032D+02 -0.434944D+01  0.774958D+01 -0.552506D+01
      4  -0.977185D+01  0.130532D+02  0.337838D+02  0.151796D+02 -0.125276D+02
      5   0.223555D+02 -0.211177D+02  0.161937D+02 -0.163744D+01  0.399274D+02
      6  -0.126878D+01  0.200237D+01 -0.629446D+00  0.266736D+00 -0.109450D-01
                71            72            73            74            75 
      1  -0.885777D+01  0.422554D+02  0.363911D+02  0.328342D+02 -0.283867D+01
      2   0.252693D+01 -0.114740D+02 -0.291700D+02 -0.144239D+02 -0.368217D+01
      3   0.633084D+01 -0.307814D+02 -0.722105D+01 -0.184104D+02  0.652084D+01
      4   0.172002D+02 -0.806690D+00  0.279937D+02 -0.190907D+02  0.117235D+02
      5  -0.203146D+00 -0.422235D+02 -0.484231D+01  0.117593D+02 -0.232560D+02
      6   0.397801D+01  0.349946D+00  0.672424D+01 -0.437556D+01  0.109876D+02
                76            77            78            79            80 
      1   0.413792D+02 -0.165670D+02  0.612584D+01 -0.606635D+01  0.801654D+01
      2  -0.185165D+02  0.121688D+02  0.352334D+01 -0.541686D+01  0.395927D+01
      3  -0.228628D+02  0.439816D+01 -0.964918D+01  0.114832D+02 -0.119758D+02
      4  -0.226273D+02 -0.125471D+02 -0.230111D+02  0.150217D+02 -0.302185D+02
      5   0.146833D+02 -0.218705D+02  0.871087D+01 -0.335286D+02  0.139870D+02
      6  -0.761705D+01  0.115722D+02 -0.343115D+01  0.129241D+02 -0.685289D+01
                81            82            83            84            85 
      1  -0.258131D+02  0.255751D+02  0.423063D+02  0.169158D+01  0.606402D+02
      2   0.155817D+02 -0.769949D+01 -0.240711D+02  0.239436D+01 -0.360045D+02
      3   0.102314D+02 -0.178756D+02 -0.182352D+02 -0.408595D+01 -0.246357D+02
      4   0.205813D+02  0.454127D+02 -0.579594D+01  0.185464D+02 -0.191847D+02
      5   0.359693D+02 -0.166161D+01  0.204742D+02 -0.387108D+02  0.271044D+02
      6  -0.112249D+02  0.584045D+01 -0.875299D+00 -0.770029D+00 -0.499535D+01
                86            87            88            89            90 
      1  -0.668045D+01  0.268181D+02 -0.458235D+01  0.231959D+02 -0.519368D+02
      2  -0.117797D+01 -0.187976D+02  0.493947D+01 -0.165805D+02  0.259243D+02
      3   0.785842D+01 -0.802050D+01 -0.357120D+00 -0.661539D+01  0.260125D+02
      4  -0.462791D+02 -0.343499D+02  0.208003D+02 -0.324569D+02 -0.316531D+01
      5  -0.369048D+02  0.312987D+01 -0.570653D+02 -0.155488D+01  0.322591D+02
      6  -0.117217D+02 -0.693384D+01 -0.211038D+01 -0.693340D+01  0.496224D+01
                91            92            93            94            95 
      1   0.852832D+01  0.148812D+02 -0.691573D+01  0.281951D+02 -0.131767D+02
      2  -0.285926D+01 -0.109243D+02  0.454320D+01 -0.178721D+02  0.445338D+01
      3  -0.566906D+01 -0.395690D+01  0.237253D+01 -0.103229D+02  0.872336D+01
      4   0.103752D+02 -0.909599D+01  0.665702D+00 -0.367687D+02 -0.360318D+01
      5  -0.567103D+01  0.581178D+00 -0.547273D+01  0.730766D+01  0.620024D+01
      6   0.623943D-02  0.998219D+00 -0.514945D+01  0.499159D+01  0.664715D+01
                96            97            98            99           100 
      1  -0.185065D+01 -0.152654D+01 -0.343468D+01  0.179188D+01 -0.797153D+01
      2   0.370927D+01  0.700161D+01  0.985113D+01 -0.248012D+01  0.650748D+01
      3  -0.185862D+01 -0.547507D+01 -0.641645D+01  0.688234D+00  0.146405D+01
      4   0.622639D+01  0.852117D+01  0.145104D+02 -0.225858D+02  0.507408D+01
      5  -0.184505D+02 -0.127271D+02 -0.216072D+02 -0.219157D+02  0.155698D+02
      6  -0.893942D+01 -0.115580D+02 -0.114786D+02 -0.793390D+01 -0.101573D+01
               101           102           103           104           105 
      1  -0.395495D+01  0.989484D+01  0.855511D+01  0.152530D+02 -0.235357D+01
      2   0.359134D+01 -0.695419D+01 -0.891499D+01 -0.594019D+01  0.211094D+01
      3   0.363614D+00 -0.294065D+01  0.359876D+00 -0.931285D+01  0.242627D+00
      4   0.660232D+01 -0.949653D+00  0.134012D+02 -0.587742D+01 -0.311141D+00
      5  -0.304967D+00 -0.156796D+02 -0.191336D+01 -0.311628D-01  0.300149D+02
      6   0.302976D+00  0.819144D+01 -0.208763D+01  0.225667D+01 -0.713347D+01
               106           107           108           109           110 
      1   0.281121D+02 -0.759261D+01 -0.148935D+02  0.456461D+02 -0.936294D+01
      2  -0.129283D+02  0.294081D-01  0.142034D+02 -0.261300D+02  0.400965D+01
      3  -0.151838D+02  0.756320D+01  0.690060D+00 -0.195162D+02  0.535329D+01
      4  -0.146866D+02  0.126475D+02  0.196310D+02 -0.158437D+02  0.131149D+02
      5  -0.340562D+02  0.196961D+02  0.291573D+02 -0.371164D+02  0.304612D+01
      6   0.107558D+02 -0.132994D+02 -0.527512D+01  0.711979D+01 -0.324473D+01
               111           112           113           114           115 
      1  -0.269175D+02 -0.144645D+02  0.174002D+01 -0.171631D+00 -0.493569D+02
      2   0.178695D+02  0.468468D+01  0.381161D+01 -0.507390D+00  0.285480D+02
      3   0.904792D+01  0.977985D+01 -0.555163D+01  0.679021D+00  0.208090D+02
      4   0.553143D+01  0.198687D+02 -0.173236D+02 -0.175914D+02  0.200888D+02
      5   0.305453D+02  0.917217D+01 -0.182015D+02 -0.201753D+02  0.452656D+02
      6  -0.586698D+01 -0.389767D+01  0.869467D+01  0.145156D+02 -0.724707D+01
               116           117           118           119           120 
      1   0.539579D+01  0.122763D+02  0.384014D+01  0.803090D+01  0.140514D+02
      2  -0.149944D+01 -0.233524D+02 -0.104386D+02  0.323739D+01 -0.996877D+01
      3  -0.389635D+01  0.110761D+02  0.659841D+01 -0.112683D+02 -0.408263D+01
      4  -0.283084D+02 -0.131527D+02  0.156023D+02 -0.204110D+02 -0.835566D+00
      5  -0.129472D+02 -0.760281D+02  0.126252D+02  0.253524D+01  0.101972D+02
      6   0.146369D+02  0.196732D+02 -0.677294D+00 -0.168368D+01 -0.108487D+01
               121           122           123           124           125 
      1   0.156122D+02 -0.267816D+02  0.690134D+01  0.271299D+02  0.254937D+00
      2   0.160220D+01  0.774659D+01 -0.445973D+01 -0.153869D+02 -0.291867D+01
      3  -0.172144D+02  0.190350D+02 -0.244161D+01 -0.117430D+02  0.266373D+01
      4  -0.244436D+02  0.292686D+02  0.686262D+01 -0.157157D+02  0.196253D+02
      5   0.508927D+00  0.638647D+01 -0.601103D+01  0.283996D+02 -0.168648D+02
      6  -0.123719D+01 -0.480626D+01  0.883637D+01 -0.748646D+01  0.143659D+02
               126           127           128           129           130 
      1   0.366190D+01  0.555313D+00 -0.278082D+01 -0.207892D+01 -0.629355D+00
      2  -0.129167D+02 -0.104207D+01  0.255960D+01 -0.132960D+00 -0.134488D+00
      3   0.925478D+01  0.486756D+00  0.221222D+00  0.221188D+01  0.763843D+00
      4  -0.142210D+02  0.419193D+01  0.437975D+01  0.432354D+01  0.408262D+01
      5   0.412242D+02  0.744625D+01  0.461387D+01  0.824722D+01  0.598513D+01
      6  -0.142403D+02  0.516086D+01  0.443477D+01  0.579313D+01  0.460947D+01
               131           132           133           134           135 
      1  -0.716112D+01 -0.811209D+01 -0.305104D+01 -0.109772D+02 -0.185359D+02
      2   0.425662D+01  0.111922D+01 -0.138290D+01  0.481564D+01 -0.459883D+00
      3   0.290450D+01  0.699288D+01  0.443394D+01  0.616158D+01  0.189958D+02
      4   0.491909D+01  0.379509D+01  0.416055D+01  0.414376D+01  0.480617D+01
      5   0.541046D+01  0.794977D+01  0.944181D+01  0.634870D+01  0.139135D+02
      6   0.869268D+01  0.996345D+01  0.635861D+01  0.123216D+02  0.169757D+02
               136           137           138           139           140 
      1   0.253618D+01  0.266827D+00  0.234663D+01  0.972490D+00 -0.241957D+01
      2  -0.487113D+01  0.148092D+00  0.346057D+01  0.683480D+00  0.343457D+00
      3   0.233494D+01 -0.414919D+00 -0.580720D+01 -0.165597D+01  0.207611D+01
      4  -0.371848D+01  0.264113D+01  0.224330D+01  0.204628D+01 -0.175548D+01
      5  -0.868286D+01  0.129313D+01  0.878693D+01  0.224410D+01 -0.234575D+01
      6   0.899971D+00 -0.201301D+01 -0.121397D+01 -0.170885D+01  0.253227D+01
               141           142           143           144           145 
      1  -0.462302D+01  0.285619D+01 -0.347759D+01 -0.135254D+02 -0.264895D+01
      2  -0.798409D+00  0.419547D+01  0.525228D+00 -0.694000D+01 -0.231250D+01
      3   0.542143D+01 -0.705166D+01  0.295236D+01  0.204654D+02  0.496145D+01
      4  -0.230479D+01  0.455777D+01 -0.440074D+01 -0.597669D+01  0.429689D+01
      5  -0.236492D+01  0.113531D+02 -0.292822D+01 -0.149426D+02  0.968896D+01
      6   0.358866D+01 -0.340681D+01  0.549129D+01  0.667125D+01  0.573539D+01
               146           147           148           149           150 
      1  -0.341161D+01 -0.501631D+01 -0.380020D+01 -0.749623D+01 -0.118814D+02
      2   0.924510D+00 -0.208562D+01 -0.108290D+01  0.161204D+01 -0.159173D+01
      3   0.248710D+01  0.710193D+01  0.488310D+01  0.588420D+01  0.134731D+02
      4   0.413331D+01  0.390476D+01  0.302044D+01  0.360099D+01  0.309830D+01
      5   0.551522D+01  0.112967D+02  0.652484D+01  0.527444D+01  0.934043D+01
      6   0.516186D+01  0.657196D+01  0.446355D+01  0.826213D+01  0.103415D+02
               151           152           153           154           155 
      1  -0.677215D+01 -0.120221D+02 -0.253163D+02  0.398882D+00 -0.495338D+00
      2  -0.274575D+01  0.134271D+01 -0.702785D+01 -0.826426D+01  0.972573D+00
      3   0.951790D+01  0.106794D+02  0.323441D+02  0.786538D+01 -0.477236D+00
      4   0.379918D+01  0.371829D+01  0.389014D+01 -0.358599D+01  0.296024D+01
      5   0.108521D+02  0.682705D+01  0.170455D+02 -0.152830D+02  0.197946D+01
      6   0.672678D+01  0.129383D+02  0.185919D+02  0.773422D+00 -0.272033D+01
               156           157           158           159           160 
      1   0.443657D+01  0.347009D+01 -0.219227D+01 -0.611029D+01  0.337495D+01
      2   0.852219D+01  0.170654D-01 -0.298163D+00 -0.248449D+01  0.919905D+01
      3  -0.129588D+02 -0.348716D+01  0.249043D+01  0.859477D+01 -0.125740D+02
      4   0.290180D+01  0.134364D+01 -0.124621D+01 -0.278001D+01  0.467428D+01
      5   0.163237D+02  0.214112D+01 -0.284655D+01 -0.377797D+01  0.166544D+02
      6  -0.320801D+00 -0.187256D+01  0.240027D+01  0.366294D+01 -0.300557D+01
               161           162           163           164           165 
      1  -0.320545D+01 -0.200397D+02  0.141351D+02 -0.814562D+00 -0.697526D+01
      2  -0.104367D+01 -0.152069D+02 -0.107810D+02  0.724954D+00  0.590717D+01
      3   0.424913D+01  0.352466D+02 -0.335407D+01  0.896075D-01  0.106808D+01
      4  -0.422640D+01 -0.591827D+01  0.293042D+01  0.686832D+01 -0.573343D+01
      5  -0.392050D+01 -0.244445D+02 -0.148319D+02 -0.506014D+01  0.171640D+02
      6   0.599935D+01  0.577543D+01 -0.352864D+01 -0.236263D+01  0.389789D+01
               166           167           168           169           170 
      1  -0.858488D+01 -0.903881D+00  0.640730D+00 -0.148814D+02  0.114330D+01
      2   0.476023D+01  0.154576D+01 -0.591622D+00  0.120766D+02  0.328099D+00
      3   0.382465D+01 -0.641881D+00 -0.491073D-01  0.280487D+01 -0.147140D+01
      4   0.550078D+01  0.559163D+01 -0.481102D+01 -0.809972D+01 -0.899509D+01
      5  -0.191472D+01 -0.521237D+01  0.943643D+00  0.210863D+02  0.103607D+02
      6  -0.208022D+01 -0.203770D+01  0.511635D+01  0.630043D+01  0.751499D+01
               171           172           173           174           175 
      1  -0.406555D+01  0.766104D+01  0.616451D+01  0.353149D+01  0.912826D+01
      2  -0.111385D+02  0.583437D+00 -0.100353D+01 -0.113693D+01  0.423657D+01
      3   0.152040D+02 -0.824447D+01 -0.516099D+01 -0.239456D+01 -0.133648D+02
      4   0.103158D+02  0.946366D+01  0.123271D+02  0.653562D+00  0.234258D+02
      5  -0.414229D+02  0.436620D+01  0.444210D-01  0.383132D+01  0.155661D+01
      6  -0.138901D+02  0.157095D+01 -0.447678D-01  0.677968D+00  0.114503D+01
               176           177           178           179           180 
      1  -0.161769D+02 -0.154848D+01  0.166571D+02 -0.364189D+01  0.154612D+00
      2   0.365307D+02  0.412768D+01 -0.446618D+01  0.808183D+01  0.159065D+01
      3  -0.203538D+02 -0.257919D+01 -0.121910D+02 -0.443994D+01 -0.174527D+01
      4   0.510762D+02  0.600224D+01  0.675919D+01  0.147864D+02  0.772819D+01
      5   0.545219D+01  0.581663D+01  0.864431D+01  0.749596D+01  0.234733D+01
      6   0.292459D+01  0.548935D+01  0.304383D+01  0.686060D+01  0.271942D+01
               181           182           183           184           185 
      1  -0.128529D+02  0.474946D+01  0.136945D+02  0.100213D+02 -0.740876D+01
      2   0.220884D+01 -0.225393D+01 -0.249967D+01 -0.491116D+01  0.299531D+01
      3   0.106441D+02 -0.249552D+01 -0.111948D+02 -0.511011D+01  0.441344D+01
      4   0.551625D+01 -0.230787D+01  0.171852D+01  0.137801D+00 -0.478947D+01
      5   0.677074D+01  0.160361D+01 -0.576575D+01  0.136657D+01  0.361533D+01
      6  -0.381226D+00 -0.652151D+00  0.352345D+00 -0.116583D+01 -0.157529D+00
               186           187           188           189           190 
      1   0.234210D+01  0.216599D+02  0.327250D+01 -0.275581D+02  0.118870D+02
      2  -0.107236D+01 -0.796997D+01 -0.181639D+01 -0.709520D+01 -0.631901D+01
      3  -0.126974D+01 -0.136899D+02 -0.145611D+01  0.346533D+02 -0.556797D+01
      4   0.400019D+01  0.251758D+01  0.701553D+01  0.609783D-01 -0.105940D+02
      5  -0.599106D+00 -0.168867D+01  0.382454D+00  0.448922D+02 -0.148921D+02
      6   0.630365D+01  0.233038D+00  0.389588D+01 -0.127020D+01  0.385980D+01
               191           192           193           194           195 
      1  -0.535556D+01 -0.111504D+02 -0.111428D+01  0.179892D+01 -0.205970D+01
      2   0.865385D+00  0.803138D+01 -0.827965D+00 -0.512343D+00  0.233178D+01
      3   0.449018D+01  0.311902D+01  0.194225D+01 -0.128658D+01 -0.272073D+00
      4   0.108981D+02  0.600431D+01  0.696376D+01 -0.331769D+01 -0.532933D+01
      5   0.353743D+01  0.193780D+02 -0.944274D-01 -0.528955D+01 -0.247271D+01
      6  -0.168534D+01 -0.635176D+01 -0.153035D+01  0.190346D+01  0.583943D+01
               196           197           198           199           200 
      1  -0.185595D+02 -0.107748D+01  0.761691D+01  0.303084D+02 -0.185480D+02
      2   0.121699D+02  0.313637D+01 -0.137632D+02 -0.733904D+01  0.553656D-02
      3   0.638952D+01 -0.205890D+01  0.614629D+01 -0.229693D+02  0.185424D+02
      4   0.109773D+02 -0.152476D+02 -0.172697D+02 -0.367360D+02  0.346600D+02
      5   0.239776D+02 -0.132607D+02 -0.527157D+02  0.149735D+02 -0.991762D+01
      6  -0.836714D+01  0.870091D+01  0.198593D+02 -0.734034D+01  0.631873D+01
               201           202           203           204           205 
      1   0.102740D+02 -0.184612D+02  0.960496D+01 -0.362374D+01  0.183507D+02
      2  -0.273894D+01 -0.112629D-01  0.110257D+02 -0.321445D+01 -0.561948D+01
      3  -0.753502D+01  0.184725D+02 -0.206306D+02  0.683819D+01 -0.127312D+02
      4  -0.126176D+02  0.348465D+02 -0.428055D+02  0.176322D+02 -0.223510D+02
      5   0.150047D+02 -0.110450D+02  0.156864D+02 -0.121201D+02  0.194340D+02
      6  -0.744609D+01  0.738234D+01 -0.109203D+02  0.871915D+01 -0.949973D+01
               206           207           208           209           210 
      1  -0.546514D+01  0.886413D+01 -0.535755D+02 -0.228046D+02 -0.130346D+01
      2  -0.478093D+01 -0.378087D+01  0.313493D+02  0.203063D+02  0.108978D+01
      3   0.102461D+02 -0.508326D+01  0.222261D+02  0.249832D+01  0.213683D+00
      4   0.291452D+02 -0.185033D+02  0.570646D+01 -0.100898D+02 -0.171643D+01
      5  -0.155297D+02  0.157944D+02 -0.168572D+01 -0.239545D+01 -0.174577D+01
      6   0.109038D+02 -0.961497D+01 -0.134990D+01 -0.383850D+00  0.269934D+01
               211           212           213           214           215 
      1  -0.192687D+02 -0.185510D+02 -0.110000D+01 -0.179460D+01 -0.163147D+00
      2   0.154056D+02  0.174777D+02  0.170412D-01  0.166997D+01 -0.282920D+00
      3   0.386303D+01  0.107328D+01  0.108296D+01  0.124624D+00  0.446067D+00
      4  -0.613458D+00 -0.613223D+01  0.166144D+01 -0.752781D+00  0.312687D+01
      5  -0.136463D+01  0.106900D+01 -0.235582D+01  0.210503D+01 -0.375131D+01
      6   0.645708D+00 -0.605950D+00  0.316455D+01  0.136455D+01  0.402440D+01
               216           217           218           219           220 
      1  -0.362090D+01  0.380942D+02  0.124987D+01 -0.224600D+02 -0.421571D+01
      2   0.165891D+01 -0.203743D+02  0.241244D+00  0.109916D+02  0.354845D+01
      3   0.196199D+01 -0.177199D+02 -0.149111D+01  0.114683D+02  0.667255D+00
      4  -0.368296D+01  0.304278D+01  0.800746D+01 -0.546340D+01  0.117710D+02
      5  -0.375382D+01 -0.221178D+02 -0.478967D+01  0.254212D+02 -0.410562D+01
      6   0.918098D+00 -0.297096D+01 -0.447365D+00  0.262977D+01 -0.117013D+01
               221           222           223           224           225 
      1   0.704643D+01 -0.386514D+01 -0.532490D+02 -0.920618D+01  0.321786D+02
      2  -0.225748D+01  0.169424D+01  0.275702D+02  0.382006D+01 -0.202217D+02
      3  -0.478895D+01  0.217090D+01  0.256788D+02  0.538613D+01 -0.119569D+02
      4   0.825248D+01 -0.528227D+01 -0.122642D+02 -0.139231D+02  0.733692D+01
      5  -0.474216D+01  0.232377D+01  0.396572D+02  0.690962D+01 -0.589967D+02
      6   0.166423D+00  0.386652D+01  0.374783D+01  0.399452D+01 -0.712845D+01
               226           227           228           229           230 
      1   0.200905D+01  0.901941D+01  0.487562D+01  0.233817D+02  0.495736D+01
      2   0.485993D+00 -0.360768D+01 -0.230320D+01 -0.813082D+01  0.131239D+02
      3  -0.249504D+01 -0.541173D+01 -0.257242D+01 -0.152509D+02 -0.180813D+02
      4   0.826002D+01  0.955958D+01  0.208070D+01  0.314541D+02  0.780600D+02
      5   0.480411D+01  0.237062D+01  0.616726D+01  0.101291D+02  0.262840D+02
      6   0.241106D+01  0.883716D+00  0.336246D+00  0.551056D+01  0.167488D+02
               231           232           233           234           235 
      1  -0.675503D+00  0.115381D+02 -0.162416D+01  0.602988D+01  0.764162D+02
      2   0.197742D+01 -0.618345D+01  0.275642D+01 -0.413098D+01 -0.437020D+02
      3  -0.130192D+01 -0.535464D+01 -0.113226D+01 -0.189890D+01 -0.327142D+02
      4   0.250684D+02  0.828739D+01  0.265298D+02  0.164418D+02 -0.222308D+02
      5   0.199736D+02  0.159340D+02  0.171462D+02  0.138526D+02  0.362761D+02
      6   0.106600D+02  0.334425D+01  0.105501D+02  0.702096D+01 -0.315491D+01
               236           237           238           239           240 
      1  -0.223986D+02  0.277741D+02 -0.536625D+02  0.176398D+02 -0.172405D+02
      2   0.130433D+02 -0.183435D+02  0.300300D+02 -0.873178D+01  0.124984D+02
      3   0.935529D+01 -0.943057D+01  0.236325D+02 -0.890802D+01  0.474212D+01
      4   0.172574D+02 -0.102822D+02  0.249654D+02 -0.200149D+02  0.161704D+02
      5  -0.121000D+02  0.290145D+02 -0.248637D+02  0.171031D+02 -0.201039D+02
      6   0.227679D+01 -0.629555D+00  0.445253D+01 -0.368153D+01  0.414773D+01
               241           242           243           244           245 
      1   0.451589D+02 -0.107296D+02  0.283912D+02  0.239476D+01  0.573603D+00
      2  -0.291945D+02  0.842716D+01 -0.219942D+02 -0.322740D+01  0.104137D+00
      3  -0.159644D+02  0.230248D+01 -0.639697D+01  0.832644D+00 -0.677741D+00
      4  -0.124716D+02  0.181186D+02 -0.104829D+02  0.475175D+01  0.695367D+01
      5   0.417852D+02 -0.116494D+02  0.310802D+02  0.128231D+02  0.385436D+01
      6  -0.176439D+01  0.475257D+01 -0.300064D+01  0.563600D+01  0.140629D+01
               246           247           248           249           250 
      1   0.785183D+01 -0.176636D+00 -0.775762D+00 -0.135963D+01  0.107041D+02
      2  -0.477812D+01  0.127104D+01  0.283548D+01  0.140573D+01 -0.756087D+01
      3  -0.307371D+01 -0.109440D+01 -0.205972D+01 -0.461004D-01 -0.314323D+01
      4   0.429353D+01  0.104182D+02  0.109847D+02  0.787657D+01  0.616168D+01
      5   0.106043D+02  0.494649D+01  0.827041D+01  0.114623D+02  0.154864D+02
      6   0.304543D+01  0.287131D+01  0.589582D+01  0.866004D+01  0.498185D+01
               251           252           253           254           255 
      1  -0.326786D+01 -0.370173D+01 -0.401515D+02 -0.436074D+02  0.685176D+01
      2   0.161774D+01 -0.663456D+01  0.271118D+01  0.311387D+02  0.190081D+01
      3   0.165012D+01  0.103363D+02  0.374403D+02  0.124687D+02 -0.875257D+01
      4   0.118313D+02  0.120651D+02 -0.540613D+02 -0.868955D+01  0.553460D+01
      5   0.116307D+02  0.344816D+02  0.115964D+02  0.913143D+01  0.572636D+01
      6   0.829236D+01  0.152500D+02  0.562156D+01  0.265241D+00  0.316538D+01
               256           257           258           259           260 
      1  -0.344316D+02  0.133193D+02  0.119097D+02 -0.215393D+01  0.131511D+02
      2   0.276396D+02 -0.165526D+02 -0.490775D+01  0.216446D+01 -0.117074D+02
      3   0.679199D+01  0.323340D+01 -0.700197D+01 -0.105240D-01 -0.144366D+01
      4   0.497223D+01  0.624618D+01 -0.922890D+01 -0.504383D+01 -0.160232D+02
      5   0.193223D+01 -0.140886D+02  0.146090D+02  0.137921D+02  0.149738D+02
      6  -0.578899D+01 -0.897002D+01  0.125537D+02  0.996227D+01  0.150817D+02
               261           262           263           264           265 
      1   0.893704D+01  0.301559D+02 -0.215777D+02  0.503465D+01 -0.250480D+02
      2   0.134522D+02 -0.787537D+01  0.371777D+01 -0.187332D+01  0.167821D+01
      3  -0.223893D+02 -0.222805D+02  0.178599D+02 -0.316134D+01  0.233698D+02
      4   0.200477D+02 -0.326691D+02  0.309860D+02 -0.631605D+01  0.421075D+02
      5   0.137023D+02  0.107826D+02 -0.762243D+01  0.801402D+01 -0.104808D+02
      6   0.395690D+01 -0.413909D+01  0.402834D+01 -0.230823D+01  0.515256D+01
               266           267           268           269           270 
      1   0.192735D+02 -0.380634D+01 -0.667954D+01  0.622854D+01  0.136753D+01
      2   0.756399D+01  0.639252D+00 -0.522947D+00  0.137186D+01 -0.222229D+00
      3  -0.268375D+02  0.316709D+01  0.720249D+01 -0.760040D+01 -0.114530D+01
      4  -0.547339D+02  0.100112D+02  0.946065D+01 -0.105731D+02 -0.428027D+01
      5   0.119730D+02 -0.111501D+02  0.414254D+01 -0.381651D+01  0.325600D+01
      6  -0.789400D+01  0.485527D+01 -0.182582D+01  0.284615D+01 -0.119821D+01
               271           272           273           274           275 
      1  -0.120595D+02  0.255140D+02 -0.161931D+01  0.175146D+02 -0.357195D+02
      2   0.142614D+02 -0.284780D+02 -0.198337D+00 -0.158541D+02  0.498916D+02
      3  -0.220188D+01  0.296396D+01  0.181765D+01 -0.166045D+01 -0.141721D+02
      4   0.152771D+01 -0.530501D+01  0.121350D+01  0.410404D+01  0.212308D+02
      5   0.275385D+01 -0.253616D+01 -0.321544D+01 -0.373015D+01  0.407266D+01
      6  -0.103952D+01  0.401839D+01 -0.486677D+01  0.116945D+01 -0.601902D+01
               276           277           278           279           280 
      1   0.195146D+00  0.339254D+01 -0.539559D+01 -0.633472D+01  0.792449D+00
      2   0.658080D+00 -0.246869D+01  0.872173D+01  0.420488D+01 -0.196290D+01
      3  -0.853226D+00 -0.923849D+00 -0.332615D+01  0.212984D+01  0.117045D+01
      4  -0.249124D+00  0.202657D+01  0.669825D+01 -0.689132D+00  0.238781D+01
      5   0.275789D+01 -0.176858D+01  0.185709D+01  0.749761D+00 -0.353001D+01
      6   0.578697D+01 -0.297067D+01  0.452297D+01  0.104609D+01 -0.184218D+01
               281           282           283           284           285 
      1   0.455712D+01 -0.753411D+01 -0.608102D+00 -0.338454D+01 -0.256220D+01
      2  -0.420915D+01  0.924102D+00 -0.125354D+01 -0.367004D+00 -0.349512D+01
      3  -0.347972D+00  0.661000D+01  0.186164D+01  0.375154D+01  0.605732D+01
      4  -0.241534D+00 -0.213368D+01 -0.228225D+01 -0.534301D+01 -0.163298D+01
      5  -0.173106D+00 -0.725764D+00  0.164210D+01 -0.664127D+00 -0.721930D+01
      6   0.158938D+01 -0.287430D+01  0.130997D+01  0.162839D+01 -0.925194D+00
               286           287           288           289           290 
      1  -0.871240D+01  0.191687D+01 -0.180062D+02  0.755033D+02  0.238670D+02
      2   0.336656D+01 -0.548584D+01 -0.142116D+02 -0.238626D+02 -0.440948D+00
      3   0.534584D+01  0.356898D+01  0.322177D+02 -0.516406D+02 -0.234260D+02
      4  -0.585007D+01 -0.831041D+01 -0.281277D+01  0.654432D+02  0.388307D+02
      5   0.559205D+01  0.522965D+00 -0.321026D+02 -0.206450D+02 -0.997842D+01
      6   0.527467D+00  0.492245D+01 -0.192107D+02 -0.827759D+01 -0.682648D+01
               291           292           293           294           295 
      1  -0.510148D+01  0.168683D+02  0.908890D+01 -0.184977D+01  0.846581D+00
      2   0.219052D+01  0.456903D+00  0.605826D+01  0.244576D+00  0.117612D+01
      3   0.291096D+01 -0.173252D+02 -0.151472D+02  0.160520D+01 -0.202270D+01
      4  -0.893557D+01  0.300695D+02  0.238015D+02 -0.324432D+01 -0.165754D+00
      5   0.133140D+02 -0.617528D+01 -0.334859D+01  0.327412D+01  0.109732D+02
      6   0.743056D+01 -0.419682D+01 -0.371445D+01  0.268355D+01  0.548698D+01
               296           297 
      1  -0.121378D+01  0.540728D+01
      2   0.208247D+01 -0.417836D+01
      3  -0.868683D+00 -0.122892D+01
      4   0.145669D+01  0.520701D+01
      5   0.384697D+01 -0.441696D+01
      6   0.274230D+01 -0.218398D+01
 Leave Link  716 at Wed Sep  8 14:19:41 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.216209D+03  0.912717D+01 -0.435130D+01
      2   0.912717D+01  0.135457D+03  0.708906D+01
      3  -0.435130D+01  0.708906D+01  0.148555D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.596539D+01 -0.125180D+01 -0.619790D+01
      2  -0.405609D+02 -0.143034D+02 -0.360784D+02
      3   0.258787D+02  0.546741D+02  0.764540D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.254884D+03 -0.695196D+02 -0.489852D+02
      2   0.137145D+03  0.651961D+02  0.233880D+01
      3   0.117739D+03  0.432355D+01  0.466464D+02
      4  -0.522224D+01 -0.100093D+03 -0.252441D+02
      5  -0.446636D+02 -0.231342D+02 -0.752401D+02
      6  -0.520034D+01 -0.220643D+02  0.186649D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.944178D+01  0.211166D+01 -0.655120D+00 -0.118885D+00 -0.138033D+00
      2   0.211166D+01  0.186592D+00  0.269895D+00 -0.138033D+00 -0.372696D+01
      3  -0.655120D+00  0.269895D+00 -0.162697D+01  0.152944D+01 -0.165191D+01
                 6             7             8             9            10 
      1   0.152944D+01 -0.116796D+02 -0.114356D+01 -0.924188D-03 -0.290977D+02
      2  -0.165191D+01 -0.114356D+01 -0.434264D-01  0.106760D+01 -0.309390D+01
      3   0.879080D+00 -0.924188D-03  0.106760D+01 -0.178173D+01 -0.403455D+00
                11            12            13            14            15 
      1  -0.309390D+01 -0.403455D+00 -0.672517D+01 -0.503072D+01  0.133823D+01
      2  -0.168653D+01 -0.706444D+00 -0.503072D+01 -0.294393D+01  0.416383D+00
      3  -0.706444D+00 -0.267597D+01  0.133823D+01  0.416383D+00 -0.641069D+00
                16            17            18            19            20 
      1  -0.102112D+01  0.169051D+01 -0.928719D+00 -0.767187D+01 -0.235514D+01
      2   0.169051D+01  0.667461D+00 -0.100781D+00 -0.235514D+01  0.167734D+01
      3  -0.928719D+00 -0.100781D+00  0.155420D+01  0.162907D+00  0.149113D+01
                21            22            23            24            25 
      1   0.162907D+00 -0.791556D+01  0.153279D+00  0.711478D+00 -0.106734D+02
      2   0.149113D+01  0.153279D+00 -0.132910D+01 -0.164026D+01 -0.250848D+01
      3   0.113154D+01  0.711478D+00 -0.164026D+01  0.197960D+01  0.535987D+00
                26            27            28            29            30 
      1  -0.250848D+01  0.535987D+00  0.260986D+02  0.410515D+01 -0.133227D+01
      2  -0.111532D+01  0.120296D+01  0.410515D+01  0.216848D+01  0.149324D+00
      3   0.120296D+01 -0.249298D+01 -0.133227D+01  0.149324D+00  0.243926D+01
                31            32            33            34            35 
      1   0.356056D+01  0.550054D+01 -0.155892D+01 -0.586320D+00 -0.120137D+01
      2   0.550054D+01  0.213388D+01 -0.781452D+00 -0.120137D+01 -0.162683D+01
      3  -0.155892D+01 -0.781452D+00  0.152936D+01  0.820823D+00  0.284824D+00
                36            37            38            39            40 
      1   0.820823D+00 -0.115326D+02 -0.257705D+01  0.111850D+01 -0.705679D+00
      2   0.284824D+00 -0.257705D+01 -0.306977D+00 -0.366714D+00  0.648005D+00
      3   0.817097D+00  0.111850D+01 -0.366714D+00  0.337123D+01 -0.163390D+01
                41            42            43            44            45 
      1   0.648005D+00 -0.163390D+01  0.130038D+02  0.988221D+00 -0.114816D+01
      2   0.384271D+01  0.206016D+01  0.988221D+00  0.637129D+00 -0.127003D+01
      3   0.206016D+01 -0.896013D+00 -0.114816D+01 -0.127003D+01  0.144525D+01
                46            47            48            49            50 
      1   0.973284D+01  0.234855D+01 -0.462147D+00  0.102220D+02 -0.558863D+00
      2   0.234855D+01 -0.148398D+01 -0.141296D+01 -0.558863D+00  0.114980D+01
      3  -0.462147D+00 -0.141296D+01 -0.226162D+01 -0.359086D+00  0.208494D+01
                51            52            53            54            55 
      1  -0.359086D+00  0.103759D+02  0.222151D+01  0.749960D+00  0.160233D+02
      2   0.208494D+01  0.222151D+01  0.124361D+01 -0.119296D+01 -0.680974D+00
      3  -0.326750D+01  0.749960D+00 -0.119296D+01  0.166989D+01  0.125417D+01
                56            57            58            59            60 
      1  -0.680974D+00  0.125417D+01 -0.398845D+01  0.436674D+01 -0.128099D+01
      2   0.133857D+01 -0.576668D+00  0.436674D+01  0.546286D+01  0.170426D+01
      3  -0.576668D+00  0.203530D+01 -0.128099D+01  0.170426D+01  0.161809D+00
                61            62            63            64            65 
      1   0.712253D+01 -0.816883D+00  0.385987D+01 -0.343663D+01  0.409705D+01
      2  -0.816883D+00  0.253649D+01  0.985674D+00  0.409705D+01 -0.774483D+00
      3   0.385987D+01  0.985674D+00 -0.436928D+01  0.619835D-01  0.121925D+01
                66            67            68            69            70 
      1   0.619835D-01  0.118671D+02 -0.167026D+01  0.220392D+01 -0.555691D+01
      2   0.121925D+01 -0.167026D+01 -0.407044D+01 -0.178612D+01  0.118176D+01
      3  -0.308180D+01  0.220392D+01 -0.178612D+01  0.352673D+00 -0.459744D+01
                71            72            73            74            75 
      1   0.118176D+01 -0.459744D+01 -0.331084D+01 -0.437840D+01  0.666550D+00
      2  -0.236762D+01  0.711979D-01 -0.437840D+01  0.100721D+01 -0.125062D+01
      3   0.711979D-01  0.564469D+01  0.666550D+00 -0.125062D+01  0.281369D+01
                76            77            78            79            80 
      1  -0.583598D+01  0.110532D+01 -0.164970D+01  0.155237D+01 -0.159678D+01
      2   0.110532D+01  0.199294D+01  0.243418D+01 -0.159678D+01  0.331570D+01
      3  -0.164970D+01  0.243418D+01 -0.101339D+01  0.379598D+01 -0.155271D+01
                81            82            83            84            85 
      1   0.379598D+01 -0.265350D+01 -0.393447D+01 -0.610020D-01 -0.610680D+01
      2  -0.155271D+01 -0.393447D+01  0.658096D+00 -0.164078D+01  0.196351D+01
      3  -0.415460D+01 -0.610020D-01 -0.164078D+01  0.342338D+01 -0.210439D+01
                86            87            88            89            90 
      1   0.196351D+01 -0.210439D+01  0.107849D+01 -0.178721D+01  0.483772D+01
      2   0.463262D+01  0.328408D+01 -0.178721D+01  0.326373D+01  0.275788D+00
      3   0.328408D+01 -0.198970D+00  0.483772D+01  0.275788D+00 -0.306390D+01
                91            92            93            94            95 
      1  -0.347016D+01  0.182603D+00 -0.647392D+00  0.380290D+01 -0.552773D+01
      2   0.182603D+00 -0.225282D+01  0.399553D+00 -0.552773D+01 -0.806084D+00
      3  -0.647392D+00  0.399553D+00 -0.124363D+01  0.105675D+01  0.122144D+01
                96            97            98            99           100 
      1   0.105675D+01  0.185947D+01  0.162782D+01 -0.213217D+01 -0.259560D+01
      2   0.122144D+01  0.162782D+01  0.277650D+01 -0.322428D+01 -0.861082D-01
      3  -0.265197D+01 -0.213217D+01 -0.322428D+01 -0.293313D+01  0.204412D+01
               101           102           103           104           105 
      1  -0.861082D-01  0.204412D+01 -0.148002D+00  0.181363D+01 -0.511607D+00
      2   0.126387D+01 -0.212698D-01  0.181363D+01 -0.190949D+01 -0.166966D+00
      3  -0.212698D-01 -0.119010D+01 -0.511607D+00 -0.166966D+00  0.215336D+01
               106           107           108           109           110 
      1   0.423330D+01 -0.179427D+01 -0.230750D+01  0.519633D+01 -0.128044D+01
      2  -0.179427D+01  0.883200D+00  0.231368D+01 -0.128044D+01  0.685300D+00
      3  -0.230750D+01  0.231368D+01  0.333525D+01 -0.378202D+01  0.272911D+00
               111           112           113           114           115 
      1  -0.378202D+01 -0.286080D+01  0.160266D+01  0.859605D+00 -0.911991D+01
      2   0.272911D+00  0.160266D+01 -0.170175D+01 -0.210601D+01  0.181616D+01
      3   0.234856D+01  0.859605D+00 -0.210601D+01 -0.193441D+01  0.405470D+01
               116           117           118           119           120 
      1   0.181616D+01  0.405470D+01 -0.478905D+00  0.164128D+01  0.128184D+01
      2  -0.319566D+01 -0.146529D+01  0.164128D+01 -0.284495D+01  0.208304D+00
      3  -0.146529D+01 -0.867066D+01  0.128184D+01  0.208304D+00  0.166148D+00
               121           122           123           124           125 
      1   0.182212D+01 -0.295253D+01  0.248224D+00  0.490549D+01 -0.120895D+01
      2  -0.295253D+01  0.320626D+01  0.102804D+01 -0.120895D+01  0.220844D+01
      3   0.248224D+00  0.102804D+01 -0.303077D+00  0.184583D+01 -0.194323D+01
               126           127           128           129           130 
      1   0.184583D+01 -0.202560D+01 -0.113024D+01 -0.159189D+01 -0.161436D+01
      2  -0.194323D+01 -0.113024D+01 -0.102017D+01 -0.104373D+01 -0.879159D+00
      3   0.444873D+01 -0.159189D+01 -0.104373D+01 -0.140855D+01 -0.153536D+01
               131           132           133           134           135 
      1  -0.879159D+00 -0.153536D+01 -0.185233D+01 -0.114163D+01 -0.200304D+01
      2  -0.145090D+01 -0.159041D+01 -0.114163D+01 -0.225288D+01 -0.270978D+01
      3  -0.159041D+01 -0.270800D+01 -0.200304D+01 -0.270978D+01 -0.526158D+01
               136           137           138           139           140 
      1   0.302533D+01 -0.190987D+00 -0.195286D+01 -0.522449D+00  0.156202D+00
      2  -0.190987D+00  0.425171D+00  0.186465D+00  0.156202D+00 -0.472715D+00
      3  -0.195286D+01  0.186465D+00  0.202261D+01  0.521060D+00 -0.502613D+00
               141           142           143           144           145 
      1   0.521060D+00 -0.277556D+01  0.716356D+00  0.273756D+01  0.202452D+01
      2  -0.502613D+00  0.716356D+00 -0.102947D+01 -0.115137D+01  0.123959D+01
      3  -0.154642D+01  0.273756D+01 -0.115137D+01 -0.501449D+01  0.175248D+01
               146           147           148           149           150 
      1   0.123959D+01  0.175248D+01  0.124905D+01  0.781918D+00  0.149324D+01
      2   0.100533D+01  0.109998D+01  0.781918D+00  0.106366D+01  0.146059D+01
      3   0.109998D+01  0.180730D+01  0.149324D+01  0.146059D+01  0.296113D+01
               151           152           153           154           155 
      1   0.177636D+01  0.113014D+01  0.218493D+01 -0.303938D+01  0.310205D+00
      2   0.113014D+01  0.211045D+01  0.268050D+01  0.310205D+00 -0.316474D+00
      3   0.218493D+01  0.268050D+01  0.618659D+01  0.252212D+01 -0.212930D+00
               156           157           158           159           160 
      1   0.252212D+01  0.244469D+00 -0.209868D+00 -0.456631D+00  0.291884D+01
      2  -0.212930D+00 -0.209868D+00  0.304983D+00  0.453597D+00 -0.697520D+00
      3  -0.294394D+01 -0.456631D+00  0.453597D+00  0.164876D+01 -0.320769D+01
               161           162           163           164           165 
      1  -0.697520D+00 -0.320769D+01 -0.228143D+01 -0.516000D-01  0.157207D+01
      2   0.946134D+00  0.111356D+01 -0.516000D-01 -0.711509D+00  0.586249D+00
      3   0.111356D+01  0.645479D+01  0.157207D+01  0.586249D+00 -0.171115D+01
               166           167           168           169           170 
      1   0.170951D+01 -0.694454D+00  0.261342D+00  0.370017D+01  0.770042D+00
      2  -0.694454D+00 -0.859828D+00  0.692556D+00  0.770042D+00  0.122654D+01
      3   0.261342D+00  0.692556D+00 -0.163633D+00 -0.219270D+01 -0.144142D+01
               171           172           173           174           175 
      1  -0.219270D+01 -0.183655D+01 -0.127053D+01 -0.618241D+00 -0.343825D+01
      2  -0.144142D+01 -0.127053D+01 -0.930885D+00  0.170570D-01 -0.267170D+01
      3   0.567697D+01 -0.618241D+00  0.170570D-01 -0.265653D+00 -0.306364D+00
               176           177           178           179           180 
      1  -0.267170D+01 -0.306364D+00 -0.438103D+01 -0.847095D+00 -0.112072D+01
      2  -0.825531D+01 -0.971464D+00 -0.847095D+00 -0.228758D+01 -0.123038D+01
      3  -0.971464D+00 -0.889586D+00 -0.112072D+01 -0.123038D+01 -0.428104D+00
               181           182           183           184           185 
      1   0.202420D+01 -0.727588D+00 -0.126142D+01 -0.151393D+01  0.283034D+00
      2  -0.727588D+00  0.497966D+00 -0.270879D+00  0.283034D+00  0.585731D+00
      3  -0.126142D+01 -0.270879D+00  0.148970D+01 -0.193348D+00 -0.684602D+00
               186           187           188           189           190 
      1  -0.193348D+00 -0.218873D+01 -0.229267D+00  0.945455D+00 -0.137109D+01
      2  -0.684602D+00 -0.229267D+00 -0.104518D+01  0.225202D-01  0.910188D+00
      3   0.116559D+00  0.945455D+00  0.225202D-01 -0.667812D+01  0.135043D+01
               191           192           193           194           195 
      1   0.910188D+00  0.135043D+01  0.428594D+00 -0.506923D+00 -0.104130D-01
      2  -0.922631D+00 -0.317776D+00 -0.506923D+00  0.308471D+00  0.591912D+00
      3  -0.317776D+00 -0.186380D+01 -0.104130D-01  0.591912D+00  0.310598D+00
               196           197           198           199           200 
      1   0.243309D+01 -0.632892D+00 -0.222270D+01 -0.389115D+01  0.308443D+01
      2  -0.632892D+00  0.171457D+01  0.148070D+01  0.308443D+01 -0.295624D+01
      3  -0.222270D+01  0.148070D+01  0.596974D+01 -0.144054D+01  0.102175D+01
               201           202           203           204           205 
      1  -0.144054D+01  0.285701D+01 -0.293735D+01  0.118248D+01 -0.272961D+01
      2   0.102175D+01 -0.293735D+01  0.422636D+01 -0.179602D+01  0.186657D+01
      3  -0.142971D+01  0.118248D+01 -0.179602D+01  0.131788D+01 -0.192835D+01
               206           207           208           209           210 
      1   0.186657D+01 -0.192835D+01  0.780953D+01  0.154320D+01  0.229719D+00
      2  -0.301920D+01  0.175113D+01  0.154320D+01  0.270671D+01  0.149606D+00
      3   0.175113D+01 -0.166224D+01  0.229719D+00  0.149606D+00  0.495774D+00
               211           212           213           214           215 
      1   0.156522D+01  0.159274D+01  0.127640D+00  0.385925D+00  0.389870D-01
      2   0.159274D+01  0.196461D+01 -0.155344D+00  0.389870D-01 -0.351191D+00
      3   0.127640D+00 -0.155344D+00  0.544549D+00  0.136221D+00  0.631130D+00
               216           217           218           219           220 
      1   0.136221D+00 -0.289235D+01 -0.965139D-01  0.177261D+01  0.375466D+00
      2   0.631130D+00 -0.965139D-01 -0.573645D+00  0.371807D+00 -0.915424D+00
      3   0.378276D+00  0.177261D+01  0.371807D+00 -0.193033D+01  0.316045D+00
               221           222           223           224           225 
      1  -0.915424D+00  0.316045D+00  0.461456D+01  0.940022D+00 -0.316601D+01
      2  -0.741758D+00  0.421605D+00  0.940022D+00  0.116531D+01 -0.632844D+00
      3   0.421605D+00 -0.202542D+00 -0.316601D+01 -0.632844D+00  0.511094D+01
               226           227           228           229           230 
      1  -0.874792D-01 -0.750075D+00 -0.381473D+00 -0.249853D+01 -0.247098D+01
      2  -0.750075D+00 -0.422740D+00 -0.619679D-01 -0.247098D+01 -0.751088D+01
      3  -0.381473D+00 -0.619679D-01 -0.391903D+00 -0.729627D+00 -0.239197D+01
               231           232           233           234           235 
      1  -0.729627D+00 -0.124881D+01 -0.631492D+00 -0.124166D+01 -0.615829D+01
      2  -0.239197D+01 -0.631492D+00 -0.255570D+01 -0.163101D+01  0.188227D+01
      3  -0.179546D+01 -0.124166D+01 -0.163101D+01 -0.131469D+01 -0.248334D+01
               236           237           238           239           240 
      1   0.188227D+01 -0.248334D+01  0.501175D+01 -0.196726D+01  0.180239D+01
      2  -0.126782D+01  0.884476D+00 -0.196726D+01  0.161398D+01 -0.138718D+01
      3   0.884476D+00 -0.202853D+01  0.180239D+01 -0.138718D+01  0.155855D+01
               241           242           243           244           245 
      1  -0.431731D+01  0.104453D+01 -0.312674D+01 -0.123939D+00  0.300357D+00
      2   0.104453D+01 -0.156482D+01  0.914152D+00  0.300357D+00  0.713328D+00
      3  -0.312674D+01  0.914152D+00 -0.240797D+01  0.168054D+01  0.328239D+00
               246           247           248           249           250 
      1   0.168054D+01  0.498732D+00  0.125761D+01  0.481748D+00  0.291806D+01
      2   0.328239D+00  0.125761D+01  0.169640D+01  0.114580D+01  0.670647D+00
      3   0.101013D+01  0.481748D+00  0.114580D+01  0.167711D+01  0.165832D+01
               251           252           253           254           255 
      1   0.670647D+00  0.165832D+01 -0.747563D+01 -0.516989D+01  0.756415D+00
      2   0.170890D+01  0.162434D+01 -0.516989D+01  0.175201D+01  0.416584D+00
      3   0.162434D+01  0.505648D+01  0.756415D+00  0.416584D+00  0.903405D+00
               256           257           258           259           260 
      1  -0.184677D+01  0.333429D+01 -0.605705D+00 -0.301241D+01 -0.113330D+01
      2   0.333429D+01 -0.443938D+00 -0.198939D+01 -0.113330D+01 -0.335915D+01
      3  -0.605705D+00 -0.198939D+01  0.274725D+01  0.220841D+01  0.269695D+01
               261           262           263           264           265 
      1   0.220841D+01  0.370736D+01 -0.297077D+01  0.931367D+00 -0.384359D+01
      2   0.269695D+01 -0.297077D+01  0.303821D+01 -0.632563D+00  0.422378D+01
      3   0.254512D+01  0.931367D+00 -0.632563D+00  0.878227D+00 -0.862543D+00
               266           267           268           269           270 
      1   0.422378D+01 -0.862543D+00 -0.902118D+00  0.939822D+00  0.414922D+00
      2  -0.603062D+01  0.112685D+01  0.939822D+00 -0.104740D+01 -0.444059D+00
      3   0.112685D+01 -0.132767D+01  0.414922D+00 -0.444059D+00  0.426847D+00
               271           272           273           274           275 
      1  -0.144978D+01  0.192986D+01  0.112935D+00  0.192008D+01 -0.146097D+01
      2   0.192986D+01 -0.344571D+01  0.263427D+00 -0.146097D+01  0.641389D+01
      3   0.112935D+00  0.263427D+00 -0.788141D+00 -0.600470D-01 -0.226772D-01
               276           277           278           279           280 
      1  -0.600470D-01  0.802782D+00  0.259920D-01 -0.490648D+00  0.207158D+00
      2  -0.226772D-01  0.259920D-01  0.144914D+01  0.464222D+00  0.170069D+00
      3   0.694080D+00 -0.490648D+00  0.464222D+00  0.341447D-01 -0.723096D+00
               281           282           283           284           285 
      1   0.170069D+00 -0.723096D+00 -0.687814D+00 -0.600201D+00  0.148814D+00
      2  -0.558922D+00  0.121559D+00 -0.600201D+00 -0.693855D+00 -0.228443D+00
      3   0.121559D+00 -0.798035D+00  0.148814D+00 -0.228443D+00 -0.126675D+01
               286           287           288           289           290 
      1  -0.162847D+01 -0.313599D+00  0.546191D-01  0.115896D+02  0.488821D+01
      2  -0.313599D+00 -0.138766D+01  0.903882D-01  0.488821D+01  0.335231D+01
      3   0.546191D-01  0.903882D-01 -0.604749D+01 -0.147450D+01 -0.942273D+00
               291           292           293           294           295 
      1  -0.147450D+01  0.323646D+01  0.240917D+01 -0.423792D+00 -0.761502D-02
      2  -0.942273D+00  0.240917D+01  0.234840D+01 -0.273555D+00  0.152197D-01
      3   0.130358D+01 -0.423792D+00 -0.273555D+00  0.174137D+00  0.973864D+00
               296           297 
      1   0.152197D-01  0.973864D+00
      2   0.395799D+00  0.318843D+00
      3   0.318843D+00 -0.474038D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.189644D+01  0.263532D+00 -0.259532D+01  0.578038D+01  0.910020D+00
      2  -0.139469D+02  0.214627D+01  0.861785D+01  0.433989D+01 -0.474772D+00
      3  -0.309425D+01 -0.337341D+01 -0.379774D+01  0.122120D+02  0.637671D-01
                 6             7             8             9            10 
      1  -0.268626D+01 -0.481739D+01  0.196241D+01  0.844082D+00 -0.502842D+01
      2  -0.582563D+00  0.417267D+01 -0.155649D+01 -0.490773D+01  0.182525D+02
      3  -0.379650D+01 -0.216295D+01  0.958906D+00  0.483128D+01  0.233754D+01
                11            12            13            14            15 
      1   0.498638D+00  0.190985D+01  0.757528D+00 -0.469680D+01 -0.764438D+01
      2   0.143652D+01 -0.300825D+01 -0.988173D+00  0.158640D+01 -0.220696D+01
      3   0.161763D+01  0.980197D+00  0.118546D+02 -0.691902D+00 -0.851287D+00
                16            17            18            19            20 
      1   0.858142D+01  0.497905D+00  0.377439D+01 -0.848180D+00 -0.542522D+00
      2  -0.228402D+02 -0.170639D+01  0.344837D+01  0.925710D+01  0.270347D+01
      3   0.637069D+01 -0.144210D+01 -0.362811D+01 -0.489935D+01 -0.136463D+01
                21            22            23            24            25 
      1   0.402666D+00 -0.735766D+01 -0.402640D+01 -0.207870D+01  0.118615D+01
      2   0.498493D+01  0.814972D+01  0.393215D+01  0.173879D+01  0.332325D+01
      3  -0.538962D+00  0.112105D+02  0.268176D+01  0.251814D+01 -0.561401D+01
                26            27            28            29            30 
      1   0.230852D+01 -0.182158D+01  0.227728D+01  0.253639D+01  0.422144D+01
      2   0.164103D+01  0.211510D+01 -0.147559D+02 -0.369520D+01 -0.119644D+01
      3  -0.418942D+00 -0.197930D+01 -0.294189D+01 -0.141383D-01  0.159550D+01
                31            32            33            34            35 
      1   0.641877D+01 -0.163617D+01 -0.816964D+01  0.637091D+01  0.502193D+00
      2  -0.702719D+01 -0.560872D+01 -0.175163D+01 -0.235031D+02 -0.228679D+01
      3   0.874137D+01  0.425005D+01 -0.513378D-01  0.365841D+01  0.248922D+01
                36            37            38            39            40 
      1   0.374313D+01 -0.359084D+01 -0.457584D+00 -0.110292D+01  0.428745D+01
      2   0.249198D+01  0.631212D+01  0.486785D+01  0.486958D+01  0.489608D+01
      3  -0.332232D+01 -0.196627D+01 -0.265126D+01 -0.329537D+01  0.100680D+02
                41            42            43            44            45 
      1   0.407148D+01 -0.660425D+00 -0.548643D+00  0.219560D+01  0.255243D+00
      2   0.915411D+00 -0.520019D+00 -0.127335D+02 -0.319218D+01 -0.438431D+00
      3  -0.893041D+00 -0.424255D+01  0.702924D+00 -0.102249D+01  0.353527D+01
                46            47            48            49            50 
      1   0.466740D+01 -0.163141D+01 -0.107378D+01 -0.649941D+01 -0.125121D+01
      2  -0.799550D+01 -0.198069D+01  0.391493D+01 -0.493882D+01  0.494013D+00
      3  -0.432321D+01 -0.139797D+01 -0.613712D+00  0.930817D+01  0.287968D+01
                51            52            53            54            55 
      1  -0.193960D+01  0.431489D+01  0.323202D+01 -0.405299D+00  0.428832D+01
      2   0.316366D+01 -0.968718D+01 -0.116166D+01  0.655004D-01 -0.900735D+01
      3   0.366519D+01 -0.628172D+01  0.324106D+00 -0.170146D+01 -0.119377D+02
                56            57            58            59            60 
      1  -0.132621D+01  0.123210D+01 -0.332701D+01  0.617403D+01 -0.133020D+01
      2   0.149368D+01 -0.283244D+01  0.434188D+01 -0.964341D+01 -0.555751D+00
      3   0.219704D+01 -0.252966D+01  0.249603D+02  0.136755D+02  0.724861D+01
                61            62            63            64            65 
      1   0.466498D+01  0.346685D+01 -0.548588D+01 -0.459312D+01  0.612541D+00
      2  -0.244006D+02 -0.304780D+01  0.159187D+02  0.435148D+01 -0.352088D+01
      3  -0.838560D+01  0.845894D+01 -0.190146D+01  0.231163D+02 -0.763805D+01
                66            67            68            69            70 
      1  -0.317676D+00  0.475466D+00  0.118195D+01 -0.160581D+01 -0.400783D+01
      2   0.164406D+02 -0.993651D+01  0.883248D+01  0.281890D+00  0.175318D+02
      3   0.547148D+01 -0.709084D+01 -0.153355D+02 -0.777496D+01  0.106053D+02
                71            72            73            74            75 
      1   0.499407D+01 -0.452959D+00 -0.316080D+00  0.273069D+01 -0.543866D+01
      2  -0.554796D+00 -0.280955D+02 -0.170372D+01  0.662966D+01 -0.951288D+01
      3  -0.930700D+01  0.228554D+01 -0.268075D+02 -0.769166D+01 -0.480236D+01
                76            77            78            79            80 
      1   0.345133D+01 -0.681652D+01  0.467383D+00 -0.739157D+01  0.588055D+01
      2   0.852259D+01 -0.964339D+01  0.456851D+01 -0.175293D+02  0.662278D+01
      3  -0.276360D+01  0.874649D+01  0.696270D+01 -0.605446D+01  0.980601D+01
                81            82            83            84            85 
      1   0.780787D+01  0.234215D+01 -0.121042D+01  0.332899D+01 -0.227756D+01
      2   0.167534D+02 -0.216134D+01  0.693240D+01 -0.177311D+02  0.892417D+01
      3  -0.133048D+01 -0.200671D+02  0.493077D+01 -0.915520D+01  0.199797D+02
                86            87            88            89            90 
      1  -0.747629D-01 -0.328724D+01  0.504795D+01  0.168520D+00 -0.176959D+01
      2  -0.183670D+02 -0.119682D+01 -0.315673D+02 -0.331678D+01  0.193911D+02
      3   0.261222D+02  0.205955D+02 -0.100271D+02  0.194979D+02 -0.212637D+01
                91            92            93            94            95 
      1  -0.171848D+01 -0.473972D+00  0.201295D+01  0.105020D+01 -0.638937D+00
      2   0.272787D+00  0.116572D+01  0.701429D+00  0.200729D+01  0.582963D+01
      3  -0.100959D+02  0.159831D+01 -0.909738D+00  0.306782D+02 -0.105050D+01
                96            97            98            99           100 
      1  -0.921121D+00  0.519175D+01  0.735418D+01  0.244639D+01  0.223363D+01
      2  -0.960969D+01 -0.146706D+02 -0.114283D+02 -0.102133D+02  0.210145D+01
      3  -0.420900D+01 -0.205831D+01 -0.655265D+01  0.824491D+01  0.216333D+02
               101           102           103           104           105 
      1   0.304775D+01 -0.587549D+01 -0.591465D+00  0.111414D+01 -0.375503D+01
      2  -0.551710D+00 -0.292896D+00 -0.325010D+00 -0.156888D+01  0.158951D+02
      3  -0.955489D+01  0.162973D+01 -0.114776D+01 -0.551093D+01 -0.873780D+00
               106           107           108           109           110 
      1  -0.415623D+01 -0.492296D+01  0.143247D+01 -0.173424D+01 -0.338230D+01
      2  -0.750894D+01  0.968982D+01  0.170869D+02 -0.102642D+02  0.765317D+00
      3   0.863157D+01 -0.674040D+01 -0.793488D+01 -0.192231D+01 -0.496566D+01
               111           112           113           114           115 
      1   0.281822D+01 -0.937932D+00  0.115915D+01 -0.290946D+01  0.480098D+00
      2   0.110083D+02 -0.687493D+00 -0.792754D+01 -0.102840D+02  0.618317D+01
      3  -0.377382D+00 -0.523059D+01  0.100872D+02  0.856730D+01 -0.951635D+01
               116           117           118           119           120 
      1   0.794093D+01 -0.604196D+01  0.280231D+01 -0.119422D+01  0.798941D+00
      2  -0.480631D+01 -0.364507D+02  0.556965D+01 -0.710602D+00  0.250186D+01
      3   0.141278D+02  0.664151D+01 -0.804750D+01  0.766435D+01 -0.238723D+01
               121           122           123           124           125 
      1  -0.174343D+01  0.261573D+01 -0.204742D+01 -0.269860D+01  0.679956D+01
      2   0.166189D+01  0.657586D+01 -0.283186D+01  0.252185D+00 -0.515803D+01
      3   0.997199D+01 -0.837614D+01 -0.424510D+01  0.359686D+01 -0.882679D+01
               126           127           128           129           130 
      1   0.486753D+01 -0.396387D+00  0.133899D+01 -0.424346D+00 -0.840066D+00
      2   0.180451D+02 -0.390099D+01 -0.600664D+00 -0.470301D+00 -0.192739D+01
      3   0.629090D+01  0.228892D+01 -0.208350D+00  0.614619D+00  0.296390D+01
               131           132           133           134           135 
      1   0.389772D+00 -0.315245D+01 -0.914137D+00  0.226075D+01 -0.247029D+01
      2   0.155593D+00  0.484517D+00 -0.309072D+01  0.494972D+00  0.207157D+01
      3  -0.906214D+00  0.308634D+00  0.187374D+01 -0.164104D+01 -0.362524D+00
               136           137           138           139           140 
      1  -0.121712D+01 -0.171130D+01  0.182838D+01 -0.446194D-01  0.245274D+00
      2   0.539720D+01 -0.224830D+00 -0.658869D+00  0.644475D+00 -0.984451D-02
      3  -0.248139D+01 -0.925440D+00  0.121720D+01  0.732866D+00  0.668336D+00
               141           142           143           144           145 
      1  -0.152736D+01  0.688696D+00  0.294304D+01 -0.108081D+01  0.138129D+01
      2  -0.960916D+00 -0.478355D+01  0.189265D+00 -0.122567D+01 -0.446131D+01
      3  -0.201851D+00  0.165693D+01  0.158248D+01 -0.917889D+00  0.795955D+00
               146           147           148           149           150 
      1   0.245815D+01  0.548245D+00  0.155817D+00  0.132698D+01 -0.154303D+01
      2  -0.147831D+01 -0.102340D+01 -0.274467D+01 -0.642458D+00 -0.409961D+00
      3  -0.706039D+00  0.700523D-01  0.185441D+01 -0.630981D+00 -0.510813D-01
               151           152           153           154           155 
      1   0.647005D+00  0.428792D+01  0.253195D+00  0.196526D+00 -0.207061D+01
      2  -0.388138D+01 -0.452272D+00  0.663819D+00  0.586897D+01 -0.501428D+00
      3   0.808090D+00 -0.208215D+01 -0.836615D+00 -0.101755D+01 -0.118346D+01
               156           157           158           159           160 
      1   0.653165D+00  0.210548D+00  0.603369D+00 -0.103097D+01 -0.127499D+01
      2  -0.845451D+00  0.397569D+00 -0.224581D-01 -0.113443D+01 -0.512683D+01
      3   0.531634D+00  0.123509D+01  0.418205D+00  0.784055D-01  0.681820D-01
               161           162           163           164           165 
      1   0.387582D+01  0.120606D+01  0.177862D+01 -0.341334D+00 -0.186667D+01
      2   0.424156D+00 -0.107054D+01 -0.427852D+01 -0.190402D+01  0.634442D+01
      3   0.189120D+01 -0.347306D+00  0.272349D+01 -0.316310D+01  0.261781D-01
               166           167           168           169           170 
      1   0.663507D+00  0.213564D+00 -0.980880D+00 -0.197475D+01  0.153559D+01
      2  -0.199929D+01 -0.137369D+01  0.129716D+00  0.123150D+01  0.387469D+01
      3  -0.145555D+01 -0.190979D+01  0.146687D+01 -0.162641D+01  0.369836D+01
               171           172           173           174           175 
      1   0.684250D+01 -0.116458D+01 -0.273406D+00 -0.955674D+00 -0.135433D+01
      2  -0.176898D+02  0.387574D+01  0.714238D+00  0.244874D+01  0.254890D+01
      3  -0.109594D+01 -0.152990D+01 -0.255935D+01  0.395447D+00 -0.157254D+01
               176           177           178           179           180 
      1  -0.450177D+01 -0.401106D+01 -0.185926D+01 -0.166139D+01 -0.129896D+01
      2   0.599540D+01  0.350050D+01  0.400363D+01  0.441115D+01  0.117259D+01
      3  -0.226582D+02 -0.218607D+01  0.180592D+01 -0.668922D+01 -0.222195D+01
               181           182           183           184           185 
      1   0.153403D+01 -0.121240D+01  0.787971D-01 -0.374734D+00 -0.618971D+00
      2   0.985841D+01  0.392812D+00 -0.686899D+01 -0.414449D+00  0.318877D+01
      3  -0.314308D+01  0.132289D+01 -0.717517D+00  0.334015D+01  0.227649D+01
               186           187           188           189           190 
      1  -0.601439D+00 -0.329678D+00  0.308218D+01  0.325031D+00 -0.254306D+01
      2  -0.278551D+00 -0.101497D+02 -0.930052D-01  0.279552D+02 -0.481619D+01
      3  -0.258020D+01 -0.714619D+00 -0.342846D+01  0.203101D+00  0.225850D+01
               191           192           193           194           195 
      1  -0.269615D+00  0.366550D+01  0.128874D+00 -0.102277D+01 -0.169778D+01
      2   0.119267D+01  0.789546D+01  0.348639D-02 -0.201980D+01 -0.861442D+00
      3  -0.347546D+01  0.516384D+00 -0.340731D-01  0.240634D+00  0.195295D+01
               196           197           198           199           200 
      1   0.390252D+01  0.550206D+00 -0.115977D+02  0.262298D+01 -0.143073D+01
      2   0.477543D+01 -0.554414D+01 -0.239782D+02  0.575488D+01 -0.440867D+01
      3   0.169882D+01  0.713040D+01  0.305700D+01  0.586319D+01 -0.918041D+01
               201           202           203           204           205 
      1   0.413693D+01 -0.291037D+01  0.280471D+01 -0.418994D+01  0.371026D+01
      2   0.750135D+01 -0.461877D+01  0.754624D+01 -0.652526D+01  0.669364D+01
      3   0.182024D+01 -0.421742D+01  0.134151D+02 -0.496567D+01  0.244844D+01
               206           207           208           209           210 
      1  -0.148274D+01  0.370817D+01 -0.180733D+01 -0.204424D+00 -0.214387D+01
      2  -0.720090D+01  0.715192D+01 -0.258419D+01 -0.790400D+00 -0.892502D+00
      3  -0.103027D+02  0.421696D+01  0.252118D+02  0.119960D+02  0.133686D+01
               211           212           213           214           215 
      1  -0.598331D+00  0.412285D+00 -0.182294D+01 -0.166033D+01  0.233768D+00
      2  -0.910117D+00  0.354095D+00 -0.983605D+00 -0.354571D+01 -0.194281D+01
      3   0.122405D+02  0.937036D+01 -0.267395D+00  0.159542D+01 -0.121695D+01
               216           217           218           219           220 
      1  -0.105981D+01  0.131986D+01 -0.783968D-01 -0.178611D+01  0.594899D+00
      2  -0.149035D+01 -0.109720D+02 -0.218636D+01  0.129848D+02 -0.173797D+01
      3   0.280651D+01  0.140794D+01 -0.424079D+01  0.748343D+00 -0.367917D+01
               221           222           223           224           225 
      1   0.435662D+00 -0.116266D+01 -0.219733D+01  0.156050D+01  0.393690D+01
      2  -0.249568D+01  0.144348D+01  0.162640D+02  0.361713D+01 -0.311113D+02
      3  -0.334940D+01  0.174945D+01  0.164319D+01  0.675424D+01 -0.894271D+00
               226           227           228           229           230 
      1   0.370324D+00  0.245530D+00 -0.322355D+00  0.736550D+00  0.344230D+01
      2   0.239507D+01 -0.106914D+00  0.239278D+01  0.171729D+01  0.123110D+02
      3  -0.439930D+01 -0.272579D+01 -0.189448D+00 -0.782025D+01 -0.393306D+02
               231           232           233           234           235 
      1  -0.246063D+01 -0.521665D+00  0.149855D+01 -0.612866D+00 -0.277323D+01
      2   0.101702D+02  0.448033D+01  0.857295D+01  0.629610D+01  0.954337D+01
      3  -0.124822D+02 -0.174777D+01 -0.138357D+02 -0.764410D+01  0.136312D+02
               236           237           238           239           240 
      1   0.211604D+01 -0.128150D+01  0.209049D+01 -0.264386D+01  0.657959D+00
      2  -0.379921D+01  0.121398D+02 -0.661402D+01  0.675667D+01 -0.863170D+01
      3  -0.105174D+02  0.654323D+01 -0.118753D+02  0.110803D+02 -0.872498D+01
               241           242           243           244           245 
      1  -0.216977D+01  0.315853D+01 -0.140580D+01 -0.187976D+01  0.219078D-01
      2   0.132819D+02 -0.451037D+01  0.121102D+02  0.590066D+01  0.137716D+01
      3   0.786762D+01 -0.105294D+02  0.690839D+01 -0.104977D+01 -0.267463D+01
               246           247           248           249           250 
      1  -0.109719D+01 -0.433373D+00 -0.193997D+00 -0.226237D+01 -0.115826D+01
      2   0.314454D+01  0.127650D+01  0.296672D+01  0.544774D+01  0.415942D+00
      3   0.240310D+00 -0.188256D+01 -0.402898D+01 -0.289801D+01  0.442484D+00
               251           252           253           254           255 
      1   0.139004D+01 -0.494031D+01  0.322165D+01 -0.339435D+01 -0.405461D+01
      2   0.473676D+01  0.156908D+02 -0.543224D+01 -0.431662D+01  0.687152D+01
      3  -0.440427D+01 -0.384498D+01  0.187350D+01 -0.187065D+02 -0.773912D-01
               256           257           258           259           260 
      1  -0.770708D+00  0.706716D+01 -0.656774D+01 -0.415604D+01 -0.125695D+01
      2  -0.623165D+01 -0.543718D+01  0.959054D+01  0.731284D+01  0.101955D+02
      3  -0.154937D+02  0.685247D+01  0.646394D+01  0.122573D+01  0.968627D+01
               261           262           263           264           265 
      1  -0.105978D+02 -0.224064D+01  0.262241D+01  0.985898D+00  0.362625D+01
      2   0.109736D+02  0.391685D+00  0.200945D-01  0.334988D+01  0.125091D+00
      3  -0.618326D+01  0.767917D+01 -0.101465D+02  0.257251D+01 -0.116924D+02
               266           267           268           269           270 
      1  -0.508264D+01 -0.138107D+01  0.465724D+00 -0.437024D+00 -0.893587D+00
      2   0.685196D+00 -0.515543D+01  0.126535D+01 -0.183225D+01  0.700461D+00
      3   0.216414D+02 -0.367864D+01 -0.286251D+01  0.397517D+01  0.143439D+01
               271           272           273           274           275 
      1  -0.244789D+01  0.263360D+01  0.320377D+01  0.189090D+01 -0.587069D+01
      2  -0.149771D+01  0.239419D+01 -0.145347D+01  0.184789D+01 -0.206750D+01
      3  -0.114189D+02  0.133764D+02  0.613817D-01  0.110580D+02 -0.225153D+02
               276           277           278           279           280 
      1  -0.339557D+01  0.201288D+01 -0.974196D+00 -0.973974D+00  0.241360D+01
      2   0.112713D+01 -0.217520D+01  0.900419D+00 -0.358069D+00 -0.389634D+01
      3  -0.375277D+00  0.219255D+01 -0.426607D+01 -0.258229D+01 -0.501778D+00
               281           282           283           284           285 
      1   0.136763D+01  0.183368D+01  0.128002D+01  0.309823D+01  0.258601D+01
      2  -0.264494D+00 -0.303562D+01 -0.212741D+01 -0.183793D+01 -0.433396D+01
      3   0.155305D+01 -0.139715D+01  0.198202D+01  0.128845D+01  0.775785D+00
               286           287           288           289           290 
      1   0.110284D+01  0.456808D+01  0.137766D+02 -0.104705D+01 -0.128861D+01
      2  -0.414228D+01 -0.621827D+00 -0.194883D+02  0.439643D+01  0.350057D+00
      3  -0.171623D+01  0.346786D+01 -0.471692D+00  0.626015D+01 -0.492323D+01
               291           292           293           294           295 
      1  -0.332338D+01 -0.136313D+01 -0.173140D+01 -0.116448D+01 -0.196789D+01
      2   0.598617D+01  0.182424D+01  0.101468D+01  0.127275D+01  0.203538D+01
      3   0.875335D+00 -0.322826D+00 -0.400760D+01 -0.721870D-01 -0.124906D+00
               296           297 
      1   0.218596D+00  0.123184D+01
      2   0.479149D+00 -0.140998D+01
      3  -0.114246D+01  0.871433D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.525994D+01 -0.441483D+01 -0.200764D+02  0.951155D+01 -0.121183D+02
      2  -0.467037D+00 -0.913082D+00  0.335002D+01 -0.121108D+00  0.190529D+02
      3   0.572697D+01  0.532791D+01  0.167264D+02 -0.939044D+01 -0.693464D+01
      4  -0.659305D+01 -0.342709D+01 -0.818357D+01  0.210315D+01 -0.832637D+00
      5  -0.185974D+02 -0.683979D+01  0.911087D+00 -0.741531D+01 -0.164699D+01
      6  -0.960144D+01 -0.724881D+00  0.336004D+00 -0.269697D+01  0.102062D+01
                 6             7             8             9            10 
      1  -0.403785D+01  0.266489D+02  0.117858D+02  0.146076D+02  0.524106D+02
      2   0.841297D+01 -0.617135D+01 -0.229558D+01 -0.611607D+01 -0.193755D+02
      3  -0.437512D+01 -0.204775D+02 -0.949027D+01 -0.849150D+01 -0.330351D+02
      4  -0.920669D+00  0.529689D+01  0.184799D+01 -0.359347D+01  0.458323D+01
      5  -0.715671D+01  0.139620D+02 -0.337645D+01 -0.445857D+01  0.769435D+01
      6   0.180506D+01 -0.511311D+01 -0.420861D+01 -0.110635D+02  0.619874D+00
                11            12            13            14            15 
      1   0.481302D+01  0.415216D+01  0.221227D+01 -0.219966D+01 -0.752065D+01
      2  -0.858539D+00  0.289787D+01  0.327229D+01  0.794378D+01  0.249943D+01
      3  -0.395448D+01 -0.705003D+01 -0.548456D+01 -0.574413D+01  0.502121D+01
      4   0.119999D+01  0.344782D+01  0.147225D+02  0.421090D+01 -0.271300D+00
      5   0.443948D+01  0.656190D+01 -0.958247D+01  0.394906D+00  0.210414D+01
      6   0.846427D+00  0.193814D+01 -0.798092D+01 -0.561458D+01  0.867871D+01
                16            17            18            19            20 
      1   0.100251D+02 -0.769247D+01 -0.185202D+02  0.424939D+01  0.113807D+02
      2  -0.604186D+01 -0.388452D+01  0.197671D+01  0.452004D+01 -0.790610D+01
      3  -0.398329D+01  0.115770D+02  0.165435D+02 -0.876943D+01 -0.347460D+01
      4  -0.122903D+02 -0.704917D+00 -0.195431D+01  0.210347D+01  0.566654D+01
      5  -0.146845D+02 -0.743922D+00 -0.155579D+01  0.185403D+02  0.316128D+01
      6  -0.387589D+01  0.204798D+01  0.586908D+01  0.708626D+01 -0.168361D+01
                21            22            23            24            25 
      1   0.207863D+02 -0.818927D+01 -0.212882D+01  0.161733D+02 -0.195002D+02
      2  -0.902298D+01 -0.257625D+01  0.532618D+01 -0.189114D+00  0.330794D+01
      3  -0.117633D+02  0.107655D+02 -0.319735D+01 -0.159842D+02  0.161922D+02
      4   0.452927D+01  0.749633D+01 -0.625929D+01 -0.581246D+00 -0.224755D+01
      5  -0.480440D+01  0.101340D+02  0.134316D+01  0.620557D+00  0.101446D+02
      6  -0.556658D+01  0.348581D+01 -0.574849D+00  0.411567D+01  0.125614D+02
                26            27            28            29            30 
      1   0.363728D+01  0.667973D+01  0.114797D+02  0.214392D+01 -0.318999D+01
      2  -0.479045D+00  0.907815D+00 -0.102302D+01  0.196285D+00 -0.992441D+00
      3  -0.315824D+01 -0.758754D+01 -0.104567D+02 -0.234021D+01  0.418243D+01
      4   0.273016D+00  0.712427D+01  0.586128D+01  0.345654D+01  0.892232D+00
      5   0.646782D+01  0.602134D+01 -0.151775D+01  0.896926D+00  0.748985D+01
      6   0.552786D+01 -0.731561D+01 -0.699718D+01  0.186847D+01  0.251143D+01
                31            32            33            34            35 
      1  -0.806091D+01 -0.190991D+01 -0.847677D+01  0.565415D+01 -0.590180D+01
      2   0.703635D+01  0.567262D+01  0.353420D+00 -0.680940D+01 -0.620387D+01
      3   0.102456D+01 -0.376271D+01  0.812335D+01  0.115525D+01  0.121057D+02
      4   0.175193D+02  0.506316D+00 -0.316958D+01 -0.116960D+02 -0.677887D+01
      5  -0.142054D+02 -0.292837D+01  0.278208D+01 -0.154310D+02 -0.755354D+00
      6  -0.226790D+01 -0.373391D+01  0.759790D+01 -0.727339D+01  0.132427D+01
                36            37            38            39            40 
      1  -0.227654D+02  0.911075D+01 -0.257729D+01 -0.250983D+02  0.545772D+01
      2   0.524105D+01 -0.833843D+01 -0.154029D+01  0.272382D+01  0.413497D+01
      3   0.175243D+02 -0.772323D+00  0.411758D+01  0.223745D+02 -0.959269D+01
      4  -0.113567D-01 -0.852069D+01 -0.492230D+01 -0.886748D+01  0.870513D+01
      5   0.134742D+01 -0.833436D+01 -0.614646D+01 -0.433873D+01 -0.495570D+01
      6   0.663531D+01 -0.596711D+01  0.133787D+00 -0.385416D+01 -0.239498D+01
                41            42            43            44            45 
      1  -0.105976D+02 -0.148364D+00  0.186334D+02  0.929044D+01  0.968745D+01
      2   0.139417D+02  0.797208D+01 -0.591346D+00  0.174601D+01 -0.600044D+01
      3  -0.334410D+01 -0.782372D+01 -0.180420D+02 -0.110365D+02 -0.368701D+01
      4   0.203324D+00 -0.992189D+00  0.591675D+00  0.436983D+01 -0.435564D+01
      5  -0.334874D+00 -0.112332D+02  0.795386D+01 -0.490068D+01 -0.320197D+01
      6   0.434955D+01  0.567924D+01 -0.749805D+01 -0.347667D+01 -0.127140D+02
                46            47            48            49            50 
      1  -0.647620D+01  0.789824D+01  0.205955D+02 -0.234452D+02 -0.474666D+01
      2   0.873643D+01 -0.326910D+01 -0.773908D+01  0.736423D+01  0.361886D+01
      3  -0.226023D+01 -0.462915D+01 -0.128564D+02  0.160809D+02  0.112780D+01
      4  -0.523736D+00  0.738394D+01  0.418601D+01  0.102036D+02 -0.408856D+01
      5   0.110421D+02  0.906454D+00 -0.953190D+01  0.466117D+01 -0.293823D+01
      6   0.418110D+01 -0.362531D+01 -0.752762D+01  0.901668D+00 -0.160117D+01
                51            52            53            54            55 
      1   0.206555D+02 -0.296273D+02  0.325057D+01 -0.356143D+00 -0.496342D+02
      2   0.842714D+00  0.467239D+01  0.493070D+00  0.323231D+01  0.214885D+02
      3  -0.214982D+02  0.249549D+02 -0.374364D+01 -0.287617D+01  0.281457D+02
      4  -0.773619D+00 -0.471653D+01 -0.101615D+01  0.563550D+01  0.922293D+01
      5   0.205308D+01  0.149958D+01  0.534533D+01  0.748085D+01 -0.867718D+01
      6   0.987275D+01  0.102380D+02  0.672771D+01 -0.104070D+02 -0.221843D+01
                56            57            58            59            60 
      1   0.102340D+02 -0.685729D+01  0.417030D+02 -0.231373D+01  0.120692D+02
      2  -0.608984D+01  0.536299D+00 -0.298842D+02 -0.155167D+02 -0.104059D+02
      3  -0.414417D+01  0.632099D+01 -0.118188D+02  0.178305D+02 -0.166328D+01
      4  -0.860447D+01  0.450109D+01 -0.261737D+02 -0.356600D+02 -0.111010D+02
      5   0.416588D+01 -0.145528D+02  0.109242D+02 -0.113353D+02 -0.103841D+01
      6   0.105865D+01 -0.346471D+01  0.244189D+00 -0.592415D+01 -0.852541D+00
                61            62            63            64            65 
      1  -0.326332D+02  0.968095D+01 -0.139545D+02 -0.111700D+02 -0.362106D+02
      2   0.808351D+01 -0.113804D+02  0.123350D+02  0.104429D+02  0.181179D+02
      3   0.245497D+02  0.169944D+01  0.161948D+01  0.727057D+00  0.180926D+02
      4   0.717656D+01 -0.158616D+02 -0.740981D+01 -0.395439D+02  0.555079D+01
      5  -0.309049D+02 -0.686129D+01  0.332531D+02 -0.401838D+01 -0.109564D+02
      6  -0.641662D+01 -0.325867D+01  0.848585D+01 -0.274543D+01 -0.224304D+01
                66            67            68            69            70 
      1  -0.851145D+01 -0.765467D+02  0.113834D+02 -0.135798D+02  0.113046D+02
      2   0.178231D-01  0.404434D+02 -0.703400D+01  0.583025D+01 -0.577954D+01
      3   0.849362D+01  0.361032D+02 -0.434944D+01  0.774958D+01 -0.552506D+01
      4  -0.977185D+01  0.130532D+02  0.337838D+02  0.151796D+02 -0.125276D+02
      5   0.223555D+02 -0.211177D+02  0.161937D+02 -0.163744D+01  0.399274D+02
      6  -0.126878D+01  0.200237D+01 -0.629446D+00  0.266736D+00 -0.109450D-01
                71            72            73            74            75 
      1  -0.885777D+01  0.422554D+02  0.363911D+02  0.328342D+02 -0.283867D+01
      2   0.252693D+01 -0.114740D+02 -0.291700D+02 -0.144239D+02 -0.368217D+01
      3   0.633084D+01 -0.307814D+02 -0.722105D+01 -0.184104D+02  0.652084D+01
      4   0.172002D+02 -0.806690D+00  0.279937D+02 -0.190907D+02  0.117235D+02
      5  -0.203146D+00 -0.422235D+02 -0.484231D+01  0.117593D+02 -0.232560D+02
      6   0.397801D+01  0.349946D+00  0.672424D+01 -0.437556D+01  0.109876D+02
                76            77            78            79            80 
      1   0.413792D+02 -0.165670D+02  0.612584D+01 -0.606635D+01  0.801654D+01
      2  -0.185165D+02  0.121688D+02  0.352334D+01 -0.541686D+01  0.395927D+01
      3  -0.228628D+02  0.439816D+01 -0.964918D+01  0.114832D+02 -0.119758D+02
      4  -0.226273D+02 -0.125471D+02 -0.230111D+02  0.150217D+02 -0.302185D+02
      5   0.146833D+02 -0.218705D+02  0.871087D+01 -0.335286D+02  0.139870D+02
      6  -0.761705D+01  0.115722D+02 -0.343115D+01  0.129241D+02 -0.685289D+01
                81            82            83            84            85 
      1  -0.258131D+02  0.255751D+02  0.423063D+02  0.169158D+01  0.606402D+02
      2   0.155817D+02 -0.769949D+01 -0.240711D+02  0.239436D+01 -0.360045D+02
      3   0.102314D+02 -0.178756D+02 -0.182352D+02 -0.408595D+01 -0.246357D+02
      4   0.205813D+02  0.454127D+02 -0.579594D+01  0.185464D+02 -0.191847D+02
      5   0.359693D+02 -0.166161D+01  0.204742D+02 -0.387108D+02  0.271044D+02
      6  -0.112249D+02  0.584045D+01 -0.875299D+00 -0.770029D+00 -0.499535D+01
                86            87            88            89            90 
      1  -0.668045D+01  0.268181D+02 -0.458235D+01  0.231959D+02 -0.519368D+02
      2  -0.117797D+01 -0.187976D+02  0.493947D+01 -0.165805D+02  0.259243D+02
      3   0.785842D+01 -0.802050D+01 -0.357120D+00 -0.661539D+01  0.260125D+02
      4  -0.462791D+02 -0.343499D+02  0.208003D+02 -0.324569D+02 -0.316531D+01
      5  -0.369048D+02  0.312987D+01 -0.570653D+02 -0.155488D+01  0.322591D+02
      6  -0.117217D+02 -0.693384D+01 -0.211038D+01 -0.693340D+01  0.496224D+01
                91            92            93            94            95 
      1   0.852832D+01  0.148812D+02 -0.691573D+01  0.281951D+02 -0.131767D+02
      2  -0.285926D+01 -0.109243D+02  0.454320D+01 -0.178721D+02  0.445338D+01
      3  -0.566906D+01 -0.395690D+01  0.237253D+01 -0.103229D+02  0.872336D+01
      4   0.103752D+02 -0.909599D+01  0.665702D+00 -0.367687D+02 -0.360318D+01
      5  -0.567103D+01  0.581178D+00 -0.547273D+01  0.730766D+01  0.620024D+01
      6   0.623943D-02  0.998219D+00 -0.514945D+01  0.499159D+01  0.664715D+01
                96            97            98            99           100 
      1  -0.185065D+01 -0.152654D+01 -0.343468D+01  0.179188D+01 -0.797153D+01
      2   0.370927D+01  0.700161D+01  0.985113D+01 -0.248012D+01  0.650748D+01
      3  -0.185862D+01 -0.547507D+01 -0.641645D+01  0.688234D+00  0.146405D+01
      4   0.622639D+01  0.852117D+01  0.145104D+02 -0.225858D+02  0.507408D+01
      5  -0.184505D+02 -0.127271D+02 -0.216072D+02 -0.219157D+02  0.155698D+02
      6  -0.893942D+01 -0.115580D+02 -0.114786D+02 -0.793390D+01 -0.101573D+01
               101           102           103           104           105 
      1  -0.395495D+01  0.989484D+01  0.855511D+01  0.152530D+02 -0.235357D+01
      2   0.359134D+01 -0.695419D+01 -0.891499D+01 -0.594019D+01  0.211094D+01
      3   0.363614D+00 -0.294065D+01  0.359876D+00 -0.931285D+01  0.242627D+00
      4   0.660232D+01 -0.949653D+00  0.134012D+02 -0.587742D+01 -0.311141D+00
      5  -0.304967D+00 -0.156796D+02 -0.191336D+01 -0.311628D-01  0.300149D+02
      6   0.302976D+00  0.819144D+01 -0.208763D+01  0.225667D+01 -0.713347D+01
               106           107           108           109           110 
      1   0.281121D+02 -0.759261D+01 -0.148935D+02  0.456461D+02 -0.936294D+01
      2  -0.129283D+02  0.294081D-01  0.142034D+02 -0.261300D+02  0.400965D+01
      3  -0.151838D+02  0.756320D+01  0.690060D+00 -0.195162D+02  0.535329D+01
      4  -0.146866D+02  0.126475D+02  0.196310D+02 -0.158437D+02  0.131149D+02
      5  -0.340562D+02  0.196961D+02  0.291573D+02 -0.371164D+02  0.304612D+01
      6   0.107558D+02 -0.132994D+02 -0.527512D+01  0.711979D+01 -0.324473D+01
               111           112           113           114           115 
      1  -0.269175D+02 -0.144645D+02  0.174002D+01 -0.171631D+00 -0.493569D+02
      2   0.178695D+02  0.468468D+01  0.381161D+01 -0.507390D+00  0.285480D+02
      3   0.904792D+01  0.977985D+01 -0.555163D+01  0.679021D+00  0.208090D+02
      4   0.553143D+01  0.198687D+02 -0.173236D+02 -0.175914D+02  0.200888D+02
      5   0.305453D+02  0.917217D+01 -0.182015D+02 -0.201753D+02  0.452656D+02
      6  -0.586698D+01 -0.389767D+01  0.869467D+01  0.145156D+02 -0.724707D+01
               116           117           118           119           120 
      1   0.539579D+01  0.122763D+02  0.384014D+01  0.803090D+01  0.140514D+02
      2  -0.149944D+01 -0.233524D+02 -0.104386D+02  0.323739D+01 -0.996877D+01
      3  -0.389635D+01  0.110761D+02  0.659841D+01 -0.112683D+02 -0.408263D+01
      4  -0.283084D+02 -0.131527D+02  0.156023D+02 -0.204110D+02 -0.835566D+00
      5  -0.129472D+02 -0.760281D+02  0.126252D+02  0.253524D+01  0.101972D+02
      6   0.146369D+02  0.196732D+02 -0.677294D+00 -0.168368D+01 -0.108487D+01
               121           122           123           124           125 
      1   0.156122D+02 -0.267816D+02  0.690134D+01  0.271299D+02  0.254937D+00
      2   0.160220D+01  0.774659D+01 -0.445973D+01 -0.153869D+02 -0.291867D+01
      3  -0.172144D+02  0.190350D+02 -0.244161D+01 -0.117430D+02  0.266373D+01
      4  -0.244436D+02  0.292686D+02  0.686262D+01 -0.157157D+02  0.196253D+02
      5   0.508927D+00  0.638647D+01 -0.601103D+01  0.283996D+02 -0.168648D+02
      6  -0.123719D+01 -0.480626D+01  0.883637D+01 -0.748646D+01  0.143659D+02
               126           127           128           129           130 
      1   0.366190D+01  0.555313D+00 -0.278082D+01 -0.207892D+01 -0.629355D+00
      2  -0.129167D+02 -0.104207D+01  0.255960D+01 -0.132960D+00 -0.134488D+00
      3   0.925478D+01  0.486756D+00  0.221222D+00  0.221188D+01  0.763843D+00
      4  -0.142210D+02  0.419193D+01  0.437975D+01  0.432354D+01  0.408262D+01
      5   0.412242D+02  0.744625D+01  0.461387D+01  0.824722D+01  0.598513D+01
      6  -0.142403D+02  0.516086D+01  0.443477D+01  0.579313D+01  0.460947D+01
               131           132           133           134           135 
      1  -0.716112D+01 -0.811209D+01 -0.305104D+01 -0.109772D+02 -0.185359D+02
      2   0.425662D+01  0.111922D+01 -0.138290D+01  0.481564D+01 -0.459883D+00
      3   0.290450D+01  0.699288D+01  0.443394D+01  0.616158D+01  0.189958D+02
      4   0.491909D+01  0.379509D+01  0.416055D+01  0.414376D+01  0.480617D+01
      5   0.541046D+01  0.794977D+01  0.944181D+01  0.634870D+01  0.139135D+02
      6   0.869268D+01  0.996345D+01  0.635861D+01  0.123216D+02  0.169757D+02
               136           137           138           139           140 
      1   0.253618D+01  0.266827D+00  0.234663D+01  0.972490D+00 -0.241957D+01
      2  -0.487113D+01  0.148092D+00  0.346057D+01  0.683480D+00  0.343457D+00
      3   0.233494D+01 -0.414919D+00 -0.580720D+01 -0.165597D+01  0.207611D+01
      4  -0.371848D+01  0.264113D+01  0.224330D+01  0.204628D+01 -0.175548D+01
      5  -0.868286D+01  0.129313D+01  0.878693D+01  0.224410D+01 -0.234575D+01
      6   0.899971D+00 -0.201301D+01 -0.121397D+01 -0.170885D+01  0.253227D+01
               141           142           143           144           145 
      1  -0.462302D+01  0.285619D+01 -0.347759D+01 -0.135254D+02 -0.264895D+01
      2  -0.798409D+00  0.419547D+01  0.525228D+00 -0.694000D+01 -0.231250D+01
      3   0.542143D+01 -0.705166D+01  0.295236D+01  0.204654D+02  0.496145D+01
      4  -0.230479D+01  0.455777D+01 -0.440074D+01 -0.597669D+01  0.429689D+01
      5  -0.236492D+01  0.113531D+02 -0.292822D+01 -0.149426D+02  0.968896D+01
      6   0.358866D+01 -0.340681D+01  0.549129D+01  0.667125D+01  0.573539D+01
               146           147           148           149           150 
      1  -0.341161D+01 -0.501631D+01 -0.380020D+01 -0.749623D+01 -0.118814D+02
      2   0.924510D+00 -0.208562D+01 -0.108290D+01  0.161204D+01 -0.159173D+01
      3   0.248710D+01  0.710193D+01  0.488310D+01  0.588420D+01  0.134731D+02
      4   0.413331D+01  0.390476D+01  0.302044D+01  0.360099D+01  0.309830D+01
      5   0.551522D+01  0.112967D+02  0.652484D+01  0.527444D+01  0.934043D+01
      6   0.516186D+01  0.657196D+01  0.446355D+01  0.826213D+01  0.103415D+02
               151           152           153           154           155 
      1  -0.677215D+01 -0.120221D+02 -0.253163D+02  0.398882D+00 -0.495338D+00
      2  -0.274575D+01  0.134271D+01 -0.702785D+01 -0.826426D+01  0.972573D+00
      3   0.951790D+01  0.106794D+02  0.323441D+02  0.786538D+01 -0.477236D+00
      4   0.379918D+01  0.371829D+01  0.389014D+01 -0.358599D+01  0.296024D+01
      5   0.108521D+02  0.682705D+01  0.170455D+02 -0.152830D+02  0.197946D+01
      6   0.672678D+01  0.129383D+02  0.185919D+02  0.773422D+00 -0.272033D+01
               156           157           158           159           160 
      1   0.443657D+01  0.347009D+01 -0.219227D+01 -0.611029D+01  0.337495D+01
      2   0.852219D+01  0.170654D-01 -0.298163D+00 -0.248449D+01  0.919905D+01
      3  -0.129588D+02 -0.348716D+01  0.249043D+01  0.859477D+01 -0.125740D+02
      4   0.290180D+01  0.134364D+01 -0.124621D+01 -0.278001D+01  0.467428D+01
      5   0.163237D+02  0.214112D+01 -0.284655D+01 -0.377797D+01  0.166544D+02
      6  -0.320801D+00 -0.187256D+01  0.240027D+01  0.366294D+01 -0.300557D+01
               161           162           163           164           165 
      1  -0.320545D+01 -0.200397D+02  0.141351D+02 -0.814562D+00 -0.697526D+01
      2  -0.104367D+01 -0.152069D+02 -0.107810D+02  0.724954D+00  0.590717D+01
      3   0.424913D+01  0.352466D+02 -0.335407D+01  0.896075D-01  0.106808D+01
      4  -0.422640D+01 -0.591827D+01  0.293042D+01  0.686832D+01 -0.573343D+01
      5  -0.392050D+01 -0.244445D+02 -0.148319D+02 -0.506014D+01  0.171640D+02
      6   0.599935D+01  0.577543D+01 -0.352864D+01 -0.236263D+01  0.389789D+01
               166           167           168           169           170 
      1  -0.858488D+01 -0.903881D+00  0.640730D+00 -0.148814D+02  0.114330D+01
      2   0.476023D+01  0.154576D+01 -0.591622D+00  0.120766D+02  0.328099D+00
      3   0.382465D+01 -0.641881D+00 -0.491073D-01  0.280487D+01 -0.147140D+01
      4   0.550078D+01  0.559163D+01 -0.481102D+01 -0.809972D+01 -0.899509D+01
      5  -0.191472D+01 -0.521237D+01  0.943643D+00  0.210863D+02  0.103607D+02
      6  -0.208022D+01 -0.203770D+01  0.511635D+01  0.630043D+01  0.751499D+01
               171           172           173           174           175 
      1  -0.406555D+01  0.766104D+01  0.616451D+01  0.353149D+01  0.912826D+01
      2  -0.111385D+02  0.583437D+00 -0.100353D+01 -0.113693D+01  0.423657D+01
      3   0.152040D+02 -0.824447D+01 -0.516099D+01 -0.239456D+01 -0.133648D+02
      4   0.103158D+02  0.946366D+01  0.123271D+02  0.653562D+00  0.234258D+02
      5  -0.414229D+02  0.436620D+01  0.444210D-01  0.383132D+01  0.155661D+01
      6  -0.138901D+02  0.157095D+01 -0.447678D-01  0.677968D+00  0.114503D+01
               176           177           178           179           180 
      1  -0.161769D+02 -0.154848D+01  0.166571D+02 -0.364189D+01  0.154612D+00
      2   0.365307D+02  0.412768D+01 -0.446618D+01  0.808183D+01  0.159065D+01
      3  -0.203538D+02 -0.257919D+01 -0.121910D+02 -0.443994D+01 -0.174527D+01
      4   0.510762D+02  0.600224D+01  0.675919D+01  0.147864D+02  0.772819D+01
      5   0.545219D+01  0.581663D+01  0.864431D+01  0.749596D+01  0.234733D+01
      6   0.292459D+01  0.548935D+01  0.304383D+01  0.686060D+01  0.271942D+01
               181           182           183           184           185 
      1  -0.128529D+02  0.474946D+01  0.136945D+02  0.100213D+02 -0.740876D+01
      2   0.220884D+01 -0.225393D+01 -0.249967D+01 -0.491116D+01  0.299531D+01
      3   0.106441D+02 -0.249552D+01 -0.111948D+02 -0.511011D+01  0.441344D+01
      4   0.551625D+01 -0.230787D+01  0.171852D+01  0.137801D+00 -0.478947D+01
      5   0.677074D+01  0.160361D+01 -0.576575D+01  0.136657D+01  0.361533D+01
      6  -0.381226D+00 -0.652151D+00  0.352345D+00 -0.116583D+01 -0.157529D+00
               186           187           188           189           190 
      1   0.234210D+01  0.216599D+02  0.327250D+01 -0.275581D+02  0.118870D+02
      2  -0.107236D+01 -0.796997D+01 -0.181639D+01 -0.709520D+01 -0.631901D+01
      3  -0.126974D+01 -0.136899D+02 -0.145611D+01  0.346533D+02 -0.556797D+01
      4   0.400019D+01  0.251758D+01  0.701553D+01  0.609783D-01 -0.105940D+02
      5  -0.599106D+00 -0.168867D+01  0.382454D+00  0.448922D+02 -0.148921D+02
      6   0.630365D+01  0.233038D+00  0.389588D+01 -0.127020D+01  0.385980D+01
               191           192           193           194           195 
      1  -0.535556D+01 -0.111504D+02 -0.111428D+01  0.179892D+01 -0.205970D+01
      2   0.865385D+00  0.803138D+01 -0.827965D+00 -0.512343D+00  0.233178D+01
      3   0.449018D+01  0.311902D+01  0.194225D+01 -0.128658D+01 -0.272073D+00
      4   0.108981D+02  0.600431D+01  0.696376D+01 -0.331769D+01 -0.532933D+01
      5   0.353743D+01  0.193780D+02 -0.944274D-01 -0.528955D+01 -0.247271D+01
      6  -0.168534D+01 -0.635176D+01 -0.153035D+01  0.190346D+01  0.583943D+01
               196           197           198           199           200 
      1  -0.185595D+02 -0.107748D+01  0.761691D+01  0.303084D+02 -0.185480D+02
      2   0.121699D+02  0.313637D+01 -0.137632D+02 -0.733904D+01  0.553656D-02
      3   0.638952D+01 -0.205890D+01  0.614629D+01 -0.229693D+02  0.185424D+02
      4   0.109773D+02 -0.152476D+02 -0.172697D+02 -0.367360D+02  0.346600D+02
      5   0.239776D+02 -0.132607D+02 -0.527157D+02  0.149735D+02 -0.991762D+01
      6  -0.836714D+01  0.870091D+01  0.198593D+02 -0.734034D+01  0.631873D+01
               201           202           203           204           205 
      1   0.102740D+02 -0.184612D+02  0.960496D+01 -0.362374D+01  0.183507D+02
      2  -0.273894D+01 -0.112629D-01  0.110257D+02 -0.321445D+01 -0.561948D+01
      3  -0.753502D+01  0.184725D+02 -0.206306D+02  0.683819D+01 -0.127312D+02
      4  -0.126176D+02  0.348465D+02 -0.428055D+02  0.176322D+02 -0.223510D+02
      5   0.150047D+02 -0.110450D+02  0.156864D+02 -0.121201D+02  0.194340D+02
      6  -0.744609D+01  0.738234D+01 -0.109203D+02  0.871915D+01 -0.949973D+01
               206           207           208           209           210 
      1  -0.546514D+01  0.886413D+01 -0.535755D+02 -0.228046D+02 -0.130346D+01
      2  -0.478093D+01 -0.378087D+01  0.313493D+02  0.203063D+02  0.108978D+01
      3   0.102461D+02 -0.508326D+01  0.222261D+02  0.249832D+01  0.213683D+00
      4   0.291452D+02 -0.185033D+02  0.570646D+01 -0.100898D+02 -0.171643D+01
      5  -0.155297D+02  0.157944D+02 -0.168572D+01 -0.239545D+01 -0.174577D+01
      6   0.109038D+02 -0.961497D+01 -0.134990D+01 -0.383850D+00  0.269934D+01
               211           212           213           214           215 
      1  -0.192687D+02 -0.185510D+02 -0.110000D+01 -0.179460D+01 -0.163147D+00
      2   0.154056D+02  0.174777D+02  0.170412D-01  0.166997D+01 -0.282920D+00
      3   0.386303D+01  0.107328D+01  0.108296D+01  0.124624D+00  0.446067D+00
      4  -0.613458D+00 -0.613223D+01  0.166144D+01 -0.752781D+00  0.312687D+01
      5  -0.136463D+01  0.106900D+01 -0.235582D+01  0.210503D+01 -0.375131D+01
      6   0.645708D+00 -0.605950D+00  0.316455D+01  0.136455D+01  0.402440D+01
               216           217           218           219           220 
      1  -0.362090D+01  0.380942D+02  0.124987D+01 -0.224600D+02 -0.421571D+01
      2   0.165891D+01 -0.203743D+02  0.241244D+00  0.109916D+02  0.354845D+01
      3   0.196199D+01 -0.177199D+02 -0.149111D+01  0.114683D+02  0.667255D+00
      4  -0.368296D+01  0.304278D+01  0.800746D+01 -0.546340D+01  0.117710D+02
      5  -0.375382D+01 -0.221178D+02 -0.478967D+01  0.254212D+02 -0.410562D+01
      6   0.918098D+00 -0.297096D+01 -0.447365D+00  0.262977D+01 -0.117013D+01
               221           222           223           224           225 
      1   0.704643D+01 -0.386514D+01 -0.532490D+02 -0.920618D+01  0.321786D+02
      2  -0.225748D+01  0.169424D+01  0.275702D+02  0.382006D+01 -0.202217D+02
      3  -0.478895D+01  0.217090D+01  0.256788D+02  0.538613D+01 -0.119569D+02
      4   0.825248D+01 -0.528227D+01 -0.122642D+02 -0.139231D+02  0.733692D+01
      5  -0.474216D+01  0.232377D+01  0.396572D+02  0.690962D+01 -0.589967D+02
      6   0.166423D+00  0.386652D+01  0.374783D+01  0.399452D+01 -0.712845D+01
               226           227           228           229           230 
      1   0.200905D+01  0.901941D+01  0.487562D+01  0.233817D+02  0.495736D+01
      2   0.485993D+00 -0.360768D+01 -0.230320D+01 -0.813082D+01  0.131239D+02
      3  -0.249504D+01 -0.541173D+01 -0.257242D+01 -0.152509D+02 -0.180813D+02
      4   0.826002D+01  0.955958D+01  0.208070D+01  0.314541D+02  0.780600D+02
      5   0.480411D+01  0.237062D+01  0.616726D+01  0.101291D+02  0.262840D+02
      6   0.241106D+01  0.883716D+00  0.336246D+00  0.551056D+01  0.167488D+02
               231           232           233           234           235 
      1  -0.675503D+00  0.115381D+02 -0.162416D+01  0.602988D+01  0.764162D+02
      2   0.197742D+01 -0.618345D+01  0.275642D+01 -0.413098D+01 -0.437020D+02
      3  -0.130192D+01 -0.535464D+01 -0.113226D+01 -0.189890D+01 -0.327142D+02
      4   0.250684D+02  0.828739D+01  0.265298D+02  0.164418D+02 -0.222308D+02
      5   0.199736D+02  0.159340D+02  0.171462D+02  0.138526D+02  0.362761D+02
      6   0.106600D+02  0.334425D+01  0.105501D+02  0.702096D+01 -0.315491D+01
               236           237           238           239           240 
      1  -0.223986D+02  0.277741D+02 -0.536625D+02  0.176398D+02 -0.172405D+02
      2   0.130433D+02 -0.183435D+02  0.300300D+02 -0.873178D+01  0.124984D+02
      3   0.935529D+01 -0.943057D+01  0.236325D+02 -0.890802D+01  0.474212D+01
      4   0.172574D+02 -0.102822D+02  0.249654D+02 -0.200149D+02  0.161704D+02
      5  -0.121000D+02  0.290145D+02 -0.248637D+02  0.171031D+02 -0.201039D+02
      6   0.227679D+01 -0.629555D+00  0.445253D+01 -0.368153D+01  0.414773D+01
               241           242           243           244           245 
      1   0.451589D+02 -0.107296D+02  0.283912D+02  0.239476D+01  0.573603D+00
      2  -0.291945D+02  0.842716D+01 -0.219942D+02 -0.322740D+01  0.104137D+00
      3  -0.159644D+02  0.230248D+01 -0.639697D+01  0.832644D+00 -0.677741D+00
      4  -0.124716D+02  0.181186D+02 -0.104829D+02  0.475175D+01  0.695367D+01
      5   0.417852D+02 -0.116494D+02  0.310802D+02  0.128231D+02  0.385436D+01
      6  -0.176439D+01  0.475257D+01 -0.300064D+01  0.563600D+01  0.140629D+01
               246           247           248           249           250 
      1   0.785183D+01 -0.176636D+00 -0.775762D+00 -0.135963D+01  0.107041D+02
      2  -0.477812D+01  0.127104D+01  0.283548D+01  0.140573D+01 -0.756087D+01
      3  -0.307371D+01 -0.109440D+01 -0.205972D+01 -0.461004D-01 -0.314323D+01
      4   0.429353D+01  0.104182D+02  0.109847D+02  0.787657D+01  0.616168D+01
      5   0.106043D+02  0.494649D+01  0.827041D+01  0.114623D+02  0.154864D+02
      6   0.304543D+01  0.287131D+01  0.589582D+01  0.866004D+01  0.498185D+01
               251           252           253           254           255 
      1  -0.326786D+01 -0.370173D+01 -0.401515D+02 -0.436074D+02  0.685176D+01
      2   0.161774D+01 -0.663456D+01  0.271118D+01  0.311387D+02  0.190081D+01
      3   0.165012D+01  0.103363D+02  0.374403D+02  0.124687D+02 -0.875257D+01
      4   0.118313D+02  0.120651D+02 -0.540613D+02 -0.868955D+01  0.553460D+01
      5   0.116307D+02  0.344816D+02  0.115964D+02  0.913143D+01  0.572636D+01
      6   0.829236D+01  0.152500D+02  0.562156D+01  0.265241D+00  0.316538D+01
               256           257           258           259           260 
      1  -0.344316D+02  0.133193D+02  0.119097D+02 -0.215393D+01  0.131511D+02
      2   0.276396D+02 -0.165526D+02 -0.490775D+01  0.216446D+01 -0.117074D+02
      3   0.679199D+01  0.323340D+01 -0.700197D+01 -0.105240D-01 -0.144366D+01
      4   0.497223D+01  0.624618D+01 -0.922890D+01 -0.504383D+01 -0.160232D+02
      5   0.193223D+01 -0.140886D+02  0.146090D+02  0.137921D+02  0.149738D+02
      6  -0.578899D+01 -0.897002D+01  0.125537D+02  0.996227D+01  0.150817D+02
               261           262           263           264           265 
      1   0.893704D+01  0.301559D+02 -0.215777D+02  0.503465D+01 -0.250480D+02
      2   0.134522D+02 -0.787537D+01  0.371777D+01 -0.187332D+01  0.167821D+01
      3  -0.223893D+02 -0.222805D+02  0.178599D+02 -0.316134D+01  0.233698D+02
      4   0.200477D+02 -0.326691D+02  0.309860D+02 -0.631605D+01  0.421075D+02
      5   0.137023D+02  0.107826D+02 -0.762243D+01  0.801402D+01 -0.104808D+02
      6   0.395690D+01 -0.413909D+01  0.402834D+01 -0.230823D+01  0.515256D+01
               266           267           268           269           270 
      1   0.192735D+02 -0.380634D+01 -0.667954D+01  0.622854D+01  0.136753D+01
      2   0.756399D+01  0.639252D+00 -0.522947D+00  0.137186D+01 -0.222229D+00
      3  -0.268375D+02  0.316709D+01  0.720249D+01 -0.760040D+01 -0.114530D+01
      4  -0.547339D+02  0.100112D+02  0.946065D+01 -0.105731D+02 -0.428027D+01
      5   0.119730D+02 -0.111501D+02  0.414254D+01 -0.381651D+01  0.325600D+01
      6  -0.789400D+01  0.485527D+01 -0.182582D+01  0.284615D+01 -0.119821D+01
               271           272           273           274           275 
      1  -0.120595D+02  0.255140D+02 -0.161931D+01  0.175146D+02 -0.357195D+02
      2   0.142614D+02 -0.284780D+02 -0.198337D+00 -0.158541D+02  0.498916D+02
      3  -0.220188D+01  0.296396D+01  0.181765D+01 -0.166045D+01 -0.141721D+02
      4   0.152771D+01 -0.530501D+01  0.121350D+01  0.410404D+01  0.212308D+02
      5   0.275385D+01 -0.253616D+01 -0.321544D+01 -0.373015D+01  0.407266D+01
      6  -0.103952D+01  0.401839D+01 -0.486677D+01  0.116945D+01 -0.601902D+01
               276           277           278           279           280 
      1   0.195146D+00  0.339254D+01 -0.539559D+01 -0.633472D+01  0.792449D+00
      2   0.658080D+00 -0.246869D+01  0.872173D+01  0.420488D+01 -0.196290D+01
      3  -0.853226D+00 -0.923849D+00 -0.332615D+01  0.212984D+01  0.117045D+01
      4  -0.249124D+00  0.202657D+01  0.669825D+01 -0.689132D+00  0.238781D+01
      5   0.275789D+01 -0.176858D+01  0.185709D+01  0.749761D+00 -0.353001D+01
      6   0.578697D+01 -0.297067D+01  0.452297D+01  0.104609D+01 -0.184218D+01
               281           282           283           284           285 
      1   0.455712D+01 -0.753411D+01 -0.608102D+00 -0.338454D+01 -0.256220D+01
      2  -0.420915D+01  0.924102D+00 -0.125354D+01 -0.367004D+00 -0.349512D+01
      3  -0.347972D+00  0.661000D+01  0.186164D+01  0.375154D+01  0.605732D+01
      4  -0.241534D+00 -0.213368D+01 -0.228225D+01 -0.534301D+01 -0.163298D+01
      5  -0.173106D+00 -0.725764D+00  0.164210D+01 -0.664127D+00 -0.721930D+01
      6   0.158938D+01 -0.287430D+01  0.130997D+01  0.162839D+01 -0.925194D+00
               286           287           288           289           290 
      1  -0.871240D+01  0.191687D+01 -0.180062D+02  0.755033D+02  0.238670D+02
      2   0.336656D+01 -0.548584D+01 -0.142116D+02 -0.238626D+02 -0.440948D+00
      3   0.534584D+01  0.356898D+01  0.322177D+02 -0.516406D+02 -0.234260D+02
      4  -0.585007D+01 -0.831041D+01 -0.281277D+01  0.654432D+02  0.388307D+02
      5   0.559205D+01  0.522965D+00 -0.321026D+02 -0.206450D+02 -0.997842D+01
      6   0.527467D+00  0.492245D+01 -0.192107D+02 -0.827759D+01 -0.682648D+01
               291           292           293           294           295 
      1  -0.510148D+01  0.168683D+02  0.908890D+01 -0.184977D+01  0.846581D+00
      2   0.219052D+01  0.456903D+00  0.605826D+01  0.244576D+00  0.117612D+01
      3   0.291096D+01 -0.173252D+02 -0.151472D+02  0.160520D+01 -0.202270D+01
      4  -0.893557D+01  0.300695D+02  0.238015D+02 -0.324432D+01 -0.165754D+00
      5   0.133140D+02 -0.617528D+01 -0.334859D+01  0.327412D+01  0.109732D+02
      6   0.743056D+01 -0.419682D+01 -0.371445D+01  0.268355D+01  0.548698D+01
               296           297 
      1  -0.121378D+01  0.540728D+01
      2   0.208247D+01 -0.417836D+01
      3  -0.868683D+00 -0.122892D+01
      4   0.145669D+01  0.520701D+01
      5   0.384697D+01 -0.441696D+01
      6   0.274230D+01 -0.218398D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.622966D+00      0.158342D+01      0.528172D+01
   x         -0.395197D+00     -0.100449D+01     -0.335062D+01
   y          0.116479D+00      0.296061D+00      0.987552D+00
   z          0.467266D+00      0.118767D+01      0.396165D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159851D+03      0.236875D+02      0.263558D+02
   aniso      0.751834D+02      0.111410D+02      0.123961D+02
   xx         0.207638D+03      0.307687D+02      0.342348D+02
   yx         0.859183D+01      0.127318D+01      0.141660D+01
   yy         0.129804D+03      0.192349D+02      0.214017D+02
   zx        -0.367802D+01     -0.545026D+00     -0.606423D+00
   zy         0.680300D+01      0.100810D+01      0.112166D+01
   zz         0.142111D+03      0.210587D+02      0.234310D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.166740D+03      0.247084D+02      0.274918D+02
   aniso      0.780530D+02      0.115663D+02      0.128692D+02
   xx         0.216209D+03      0.320389D+02      0.356481D+02
   yx         0.912717D+01      0.135251D+01      0.150487D+01
   yy         0.135457D+03      0.200726D+02      0.223338D+02
   zx        -0.435130D+01     -0.644796D+00     -0.717433D+00
   zy         0.708906D+01      0.105049D+01      0.116883D+01
   zz         0.148555D+03      0.220136D+02      0.244935D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.99629869         -1.16659233         -0.62187336
     6         -1.75483707         -1.24733482          2.00410421
     6         -0.07021343         -0.24004431         -2.13652369
     6          2.17462890          0.63549753         -1.06623725
     6          2.43510919          0.54002315          1.54674222
     6          0.49521669         -0.38240268          3.05813231
     6         -3.89475450         -2.18400460          3.62521449
     6         -6.09564098         -0.29327574          3.88218847
     6         -5.25290596          2.16509076          5.13814707
     6         -8.28755635         -1.49877103          5.32370596
     6          4.27618626          1.70037635         -2.70948339
     6          5.08435486         -0.30301368         -4.59334465
     8          4.28789540         -0.53411162         -6.71170882
     8          6.81301502         -1.89912656         -3.59571769
     1         -3.71873201         -1.85008203         -1.49425873
     1         -0.29772683         -0.22034128         -4.16976480
     1          4.17238522          1.19083807          2.41244704
     1          0.73707648         -0.43201145          5.09045120
     1         -3.18744803         -2.63664455          5.51447001
     1         -4.63430534         -3.94358732          2.83210369
     1         -6.74971277          0.15694319          1.96988184
     1         -4.56501341          1.80513489          7.05418313
     1         -6.82285844          3.49646454          5.27469901
     1         -3.73455167          3.07415846          4.08294267
     1         -7.71289306         -1.99705110          7.24533970
     1         -8.94233247         -3.22180452          4.39548544
     1         -9.88744631         -0.20376929          5.46483125
     1          5.89499024          2.07323949         -1.48944743
     6          3.48861887          4.13083532         -4.06245746
     1          7.15849612         -3.17592655         -4.86539219
     1          2.89918868          5.53632259         -2.67697489
     1          1.92125919          3.77471491         -5.34648956
     1          5.05089378          4.90098401         -5.16503231

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.622966D+00      0.158342D+01      0.528172D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.622966D+00      0.158342D+01      0.528172D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159851D+03      0.236875D+02      0.263558D+02
   aniso      0.751834D+02      0.111410D+02      0.123961D+02
   xx         0.178798D+03      0.264951D+02      0.294798D+02
   yx         0.136405D+02      0.202131D+01      0.224901D+01
   yy         0.129333D+03      0.191652D+02      0.213241D+02
   zx        -0.307896D+02     -0.456254D+01     -0.507651D+01
   zy        -0.616562D+01     -0.913651D+00     -0.101657D+01
   zz         0.171421D+03      0.254020D+02      0.282636D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.166740D+03      0.247084D+02      0.274918D+02
   aniso      0.780530D+02      0.115663D+02      0.128692D+02
   xx         0.185923D+03      0.275509D+02      0.306545D+02
   yx         0.143476D+02      0.212610D+01      0.236560D+01
   yy         0.135010D+03      0.200065D+02      0.222602D+02
   zx        -0.318541D+02     -0.472029D+01     -0.525203D+01
   zy        -0.664193D+01     -0.984233D+00     -0.109511D+01
   zz         0.179288D+03      0.265677D+02      0.295606D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-13\Freq\RwB97XD\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P
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 -0.838534,0.122026,1.41791\C,-2.882387,-0.913637,0.347539\C,-3.797679,
 0.013396,-0.476375\C,-3.787727,1.442814,0.061806\C,-5.218015,-0.547768
 ,-0.52076\C,2.71306,0.76711,0.19183\C,3.602939,-0.42927,-0.086386\O,3.
 981236,-0.787282,-1.17171\O,3.915201,-1.096316,1.047826\H,-1.080077,-1
 .240686,-1.658424\H,1.270566,-0.537518,-1.733203\H,0.933056,1.005917,2
 .240389\H,-1.424007,0.306057,2.310676\H,-3.244624,-0.936082,1.379648\H
 ,-2.980608,-1.931165,-0.04143\H,-3.406098,0.034214,-1.499523\H,-4.1635
 41,1.470389,1.088857\H,-4.425556,2.090476,-0.542757\H,-2.782177,1.8643
 14,0.062741\H,-5.646809,-0.595436,0.484188\H,-5.235024,-1.556669,-0.93
 8514\H,-5.870883,0.08041,-1.129959\H,2.976513,1.139253,1.182625\C,2.93
 3498,1.865447,-0.850054\H,4.436417,-1.871707,0.786177\H,2.278614,2.710
 285,-0.637065\H,2.713092,1.4975,-1.850637\H,3.967865,2.211791,-0.83943
 2\\Version=ES64L-G16RevA.03\State=1-A\HF=-657.0243758\RMSD=9.069e-09\R
 MSF=3.633e-06\ZeroPoint=0.2841143\Thermal=0.299817\Dipole=-0.3951974,0
 .1164792,0.4672663\DipoleDeriv=-0.1300535,0.035352,0.0231723,0.0277115
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 ASKING FOR EFFICIENCY AND ADAPTABILITY IN THE SAME PROGRAM IS LIKE
 ASKING FOR A BEAUTIFUL AND MODEST WIFE ...
 WE'LL PROBABLY HAVE TO SETTLE FOR ONE OR THE OTHER.

             -- THE PSYCHOLOGY OF COMPUTER PROGRAMMING
                GERALD M. WEINBERG
 Job cpu time:       0 days 14 hours 39 minutes 15.4 seconds.
 Elapsed time:       0 days  1 hours 50 minutes  1.1 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 14:19:42 2021.
